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:69
Name:Benzene
Description:
Labels:Training, Benzenes, Nonpolar_narcotics
CAS:71-43-2
InChi Code:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Properties

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

ValueSource or prediction
-0.2

experimental value

0.068

Tab4a: Baseline model (Training)

0.42

Tab4b: Main model (Training)

0.408

Tab4c: Response surface model (Training)

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