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:105
Name:4-methylphenol
Description:
Labels:Validation, Phenols, Polar_narcotics
CAS:106-44-5
InChi Code:InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

Properties

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

ValueSource or prediction
0.27

experimental value

0.113

Tab4b: Main model (Validation)

0.295

Tab4c: Response surface model (Validation)

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