C41h3996 1-PyrrolidinentinexyxylicEnicEx e 2 - Methylm. Methyl] - (2)
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 641.75 | - |
Sekhahla sa ho pheha (se boletsoeng esale pele) | 768.7 ± 60.0 ° C | Tobetsa: 760 Torr |
Mabenyane (a boletsoeng esale pele) | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 14.50 ± 0.40 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical Smiles O = C (C (C.T = CC3 (C6 = CC3) CC4C
Isomeric Smiles c (OC [OC @ H] 1n (C (C (C.C2 cc
Inchi
Inchi = 1S / c41h39no6 / c1-45-33-3-34) 4-42 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 (31) 40 44) 47-23-8-14-6-6-6-6-6-6-6-6 (37), 24-271,31-.
Senotlolo sa Inchi
QPXSKGjQEBDWES-AJQtzopaksa-n
Mabitso a mang a 2 bakeng sa ntho ena
Asidbonight e 1-pyrrolightboxynnicylic0l) bhenylmethoxy-, 2s-th) 9h-feoleren-9-ylmethyl (2s, 4r) -2 - [
Thepa e fumanehang |
Sa tlhaho |
Lik'hemik'hale |
Letsoalo |
LIPINSSKI |
Sebopeho se amanang le |
Armal |
Sa tlhaho
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 1.00 x 106 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 10; TEMP: 25 ° C | (1) ACD |
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Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 7.70 x 105 | ph 1; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | ph 2; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | ph 3; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | PH 4; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | ph 5; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | PH 6; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | PH 7; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | PH 8; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | ph 9; TEMP: 25 ° C | (1) ACD |
Koc | 7.70 x 105 | ph 10; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logd | 8.29 | ph 1; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | ph 2; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | 8.29 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | 8.289 ± 0.729 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 4.7 x 10-6 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.7 x 10-6 g / l | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 7.3 x 10-9 Mol / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | PH 7; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | PH 8; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 9; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | ph 10; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.3 x 10-9 Mol / L | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 641.75 | ||
pka | 14.50 ± 0.40 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
pka | -3.24 ± 0.60 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
Khatello ea mouoane | 7.42 x 10-25 Torr | TEMP: 25 ° C | (1) ACD |
.
Letsoalo
Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 518.4 ± 3.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
.
LIPINSSKI
Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 12 | (1) ACD | |
H | 7 | (1) ACD | |
H donors | 1 | (1) ACD | |
H donor / Canot | 8 | (1) ACD | |
Logp | 8.289 ± 0.729 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 641.75 |
.
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa polar. | 77.5 A2 | (1) ACD |
.
Armal
Thepa | Boleng | Boemo | Mohloli |
Poleft Point | 768.7 ± 60.0 ° C | Tobetsa: 760 Torr | (1) ACD |
Entatpy ea vaporization | 117.42 ± 3.0 KJ / Mol | Tobetsa: 760 Torr | (1) ACD |
Flash point | 418.7 ± 32 ° C | (1) ACD |
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Spectra e fumanehang
1h nmr
13c nmr