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:82
Name:1,4-dichlorobenzene
Description:
Labels:Training
CAS:106-46-7
InChi Code:InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
1.63

experimental value

1.053

Eq1: Full model (Training set)

1.07

Eq2: Split model (Training set)

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