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:681
Name:diphenylmethanol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Diphenylmethanol
Labels:
CAS:91-01-0
InChi Code:InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H

Properties

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

ValueSource or prediction
2.34

experimental value

2.8299

Tab2.Model_2: logKoc (Training set)

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