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:176
Name:2,7-dichlorodibenzo-p-dioxin
Description:
Labels:Training
CAS:33857-26-0
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
2.02

experimental value

2.331

Eq1: Full model (Training set)

2.327

Eq2: Split model (Training set)

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