10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:964
Name:6-chloropyridine-2-carboxylic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 6-Chloropicolinic acid
Labels:
CAS:4684-94-0
InChi Code:InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
1.16

experimental value

1.4841

Tab2.Model_2: logKoc (Training set)

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