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:580
Name:prop-2-en-1-yl acetate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: acetic acid, 2-propenyl ester
Labels:
CAS:591-87-7
InChi Code:InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.59781

experimental value

-1.4571

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

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