Chemical Properties of Anatabine, N-acetyl

Anatabine, N-acetyl

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InChI
InChI=1S/C12H14N2O/c1-10(15)14-8-3-2-6-12(14)11-5-4-7-13-9-11/h2-5,7,9,12H,6,8H2,1H3
InChI Key
CAYYVQDGGHLYMO-UHFFFAOYSA-N
Formula
C12H14N2O
SMILES
CC(=O)N1CC=CCC1c1cccnc1
Molecular Weight1
202.25
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Physical Properties

Property Value Unit Source
log10WS -2.69 Crippen Calculated Property
logPoct/wat 1.931 Crippen Calculated Property
McVol 162.550 ml/mol McGowan Calculated Property
Inp 1902.00 NIST

Similar Compounds

Anatabine, N-formyl. Strychnine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Paclitaxel. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

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