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:1645
Name:2-chloroethan-1-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloroethanol
Labels:
CAS:107-07-3
InChi Code:InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2

Properties

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

ValueSource or prediction
3.18

experimental value

2.1852

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

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