10967/181 - QDB Compounds

QsarDB Repository

Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

ID:11
Name:1-naphthyl N-methylcarbamate
Description:Original non-IUPAC name was: 1-naphthalenol, methylcarbamate
Labels:Validation
CAS:63-25-2
InChi Code:InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.05

experimental value

0.545

Eq1: Full model (Training set)

0.442

Eq2: Split model (Validation set)

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