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:42
Name:N,N-diphenylnitrous amide
Description:Original non-IUPAC name was: benzenamine, N-nitroso-N-phenyl-
Labels:Validation
CAS:86-30-6
InChi Code:InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
-0.35

experimental value

1.173

Eq1: Full model (Training set)

1.1

Eq2: Split model (Validation set)

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