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:900
Name:methyl[(methylamino)(phenoxy)phosphoryl]amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Diamidafos
Labels:
CAS:1754-58-1
InChi Code:InChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)

Properties

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

ValueSource or prediction
1.51

experimental value

1.7805

Tab2.Model_2: logKoc (Training set)