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:1104
Name:ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenoxycarb
Labels:
CAS:79127-80-3
InChi Code:InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

Properties

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

ValueSource or prediction
3

experimental value

3.5572

Tab2.Model_2: logKoc (Training set)