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:41
Name:2-butoxyethanol
Description:
Labels:Training, Glycol_ethers, Nonpolar_narcotics
CAS:111-76-2
InChi Code:InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

Properties

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

ValueSource or prediction
-1.19

experimental value

-1.072

Tab4a: Baseline model (Training)

-0.875

Tab4b: Main model (Training)

-1.049

Tab4c: Response surface model (Training)

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