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:1098
Name:ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Quizalofop-ethyl
Labels:
CAS:76578-14-8
InChi Code:InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1

Properties

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

ValueSource or prediction
2.74

experimental value

4.2815

Tab2.Model_2: logKoc (Training set)