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:1742
Name:1,5-dichloropentane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,5-Dichloropentane
Labels:
CAS:628-76-2
InChi Code:InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
3.75

experimental value

3.9969

Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources