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: | 13 | |
|---|---|---|
| Name: | 1-octanol | |
| Description: | ||
| Labels: | Training, Alkanes_alcohols, Nonpolar_narcotics | |
| CAS: | 111-87-5 | |
| InChi Code: | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.67 |
experimental value |
| 0.83 |
Tab4a: Baseline model (Training) |
| 0.596 |
Tab4b: Main model (Training) |
| 0.418 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021940 | US EPA CompTox Dashboard |