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:98
Name:3,4-dichlorotoluene
Description:
Labels:Validation, Benzenes, Nonpolar_narcotics
CAS:95-75-0
InChi Code:InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Properties

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

ValueSource or prediction
1.8

experimental value

1.663

Tab4a: Baseline model (Training)

1.903

Tab4b: Main model (Validation)

1.93

Tab4c: Response surface model (Validation)

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