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:53
Name:2-naphthalenamine
Description:
Labels:Training
CAS:91-59-8
InChi Code:InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.23

experimental value

0.083

Eq1: Full model (Training set)

0.034

Eq2: Split model (Training set)

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