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:1862
Name:1-(chloromethyl)-4-ethenylbenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloromethyl styrene
Labels:
CAS:30030-25-2
InChi Code:InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2

Properties

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

ValueSource or prediction
5.69

experimental value

4.6998

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