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: | 97 | |
|---|---|---|
| Name: | 2-methyl-2-propanol | |
| Description: | ||
| Labels: | Validation, Alkanes_alcohols, Nonpolar_narcotics | |
| CAS: | 75-65-0 | |
| InChi Code: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -1.34 |
experimental value |
| -1.492 |
Tab4a: Baseline model (Training) |
| -1.412 |
Tab4b: Main model (Validation) |
| -1.588 |
Tab4c: Response surface model (Validation) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020204 | US EPA CompTox Dashboard |