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:1699
Name:1-fluoro-4-(4-fluorophenoxy)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: p-Fluorophenyl ether
Labels:
CAS:330-93-8
InChi Code:InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

Properties

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

ValueSource or prediction
5.26

experimental value

5.1764

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