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:650
Name:oxirane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethylene Oxide
Labels:
CAS:75-21-8
InChi Code:InChI=1S/C2H4O/c1-2-3-1/h1-2H2

Properties

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

ValueSource or prediction
0.34

experimental value

0.9272

Tab2.Model_2: logKoc (Training set)

Links to External Resources