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:36
Name:1,1,2,2-tetrachloroethane
Description:
Labels:Training
CAS:79-34-5
InChi Code:InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.8

experimental value

1.04

Eq1: Full model (Training set)

1.09

Eq2: Split model (Training set)

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