10967/132 - QDB Compounds

QsarDB Repository

Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

ID:166
Name:Ethenzamide
Description:Alternative names from original table: (o-Ethoxybenzamide and AI-5)
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-0.05

experimental value

-0.188

Eq2: Model for drug-like chemicals, in vivo (Training set)

-0.1868

Eq5: Model for all chemicals, in vivo and in vitro (Training set)

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