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:944
Name:1,4-dichloro-2,5-dimethoxybenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,4-Dichloro-2,5-dimethoxybenzene
Labels:
CAS:2675-77-6
InChi Code:InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

Properties

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

ValueSource or prediction
3.11

experimental value

3.1429

Tab2.Model_2: logKoc (Training set)

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