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:35
Name:2,5-dimethylaniline
Description:
Labels:Training, Anilines, Polar_narcotics
CAS:95-78-3
InChi Code:InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3

Properties

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

ValueSource or prediction
0.23

experimental value
0.469

Tab4b: Main model (Training)
0.181

Tab4c: Response surface model (Training)

Links to External Resources