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:724
Name:ethyl N-phenylcarbamate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl-N-phenylcarbamate
Labels:
CAS:101-99-5
InChi Code:InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)

Properties

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

ValueSource or prediction
1.82

experimental value

1.7007

Tab2.Model_2: logKoc (Training set)

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