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: | 15 | |
|---|---|---|
| Name: | 2-(2-butoxyethoxy)-ethanol | |
| Description: | ||
| Labels: | Training, Glycol_ethers, Nonpolar_narcotics | |
| CAS: | 112-34-5 | |
| InChi Code: | InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -0.83 |
experimental value |
| -1.308 |
Tab4a: Baseline model (Training) |
| -0.61 |
Tab4b: Main model (Training) |
| -1.168 |
Tab4c: Response surface model (Training) |