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:584
Name:nitrosodipropylamine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-propanamine, n-nitroso-n-propyl-
Labels:
CAS:621-64-7
InChi Code:InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.0383

experimental value

-1.5361

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