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:582
Name:butyl formate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: formic acid, butyl ester
Labels:
CAS:592-84-7
InChi Code:InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.59781

experimental value

-1.5045

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

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