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:487
Name:prop-2-en-1-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-propen-1-ol
Labels:
CAS:107-18-6
InChi Code:InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-2.29678

experimental value

-1.8625

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

Links to External Resources