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:688
Name:phenazine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenazine
Labels:
CAS:92-82-0
InChi Code:InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

Properties

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

ValueSource or prediction
3.37

experimental value

3.2838

Tab2.Model_2: logKoc (Training set)

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