10967/190 - QDB Compounds

QsarDB Repository

Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.

Compound

ID:19
Name:Chlorobenzene
Description:
Labels:
CAS:108-90-7
InChi Code:InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
3.518

experimental value

3.586

Eq.5: Model for volatile organic compounds (Training set)

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