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:8
Name:1,3-dichloropropane
Description:
Labels:Training, Alkanes_halogenated, Nonpolar_narcotics
CAS:142-28-9
InChi Code:InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

Properties

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

ValueSource or prediction
0.04

experimental value

-0.046

Tab4a: Baseline model (Training)

-0.058

Tab4b: Main model (Training)

0.204

Tab4c: Response surface model (Training)

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