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:36
Name:Pyridine
Description:Prediction value for this compound is probably errorneous in the article
Labels:
CAS:110-86-1
InChi Code:InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
3.826

experimental value

3.969

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

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