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:1389
Name:(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Iodofenphos
Labels:
CAS:18181-70-9
InChi Code:InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.860825461

experimental value

0.9584

Tab2.Model_5: Metab. biotransf. fish (Training set)