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:96
Name:2-ethoxyethanol
Description:
Labels:Validation, Alkanes_alcohols, Nonpolar_narcotics
CAS:110-80-5
InChi Code:InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3

Properties

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

ValueSource or prediction
-2

experimental value

-2.079

Tab4a: Baseline model (Training)

-1.887

Tab4b: Main model (Validation)

-1.914

Tab4c: Response surface model (Validation)

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