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:532
Name:(E)-[2-methyl-2-(methylsulfanyl)propylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Aldicarb
Labels:
CAS:116-06-3
InChi Code:InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+

Properties

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

ValueSource or prediction
1.57

experimental value

1.9708

Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

ValueSource or prediction
0.3218

experimental value

-1.4462

Tab2.Model_3: Global half-life index (Training set)