10967/106 - QDB Compounds

QsarDB Repository

Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32

Compound

ID:104
Name:4-chlorophenol
Description:
Labels:Validation, Phenols, Polar_narcotics
CAS:106-48-9
InChi Code:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Properties

pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]

ValueSource or prediction
0.61

experimental value

0.483

Tab4b: Main model (Validation)

0.709

Tab4c: Response surface model (Validation)

Links to External Resources