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: | 11 | |
|---|---|---|
| Name: | 1-chlorobutane | |
| Description: | ||
| Labels: | Training, Alkanes_halogenated, Nonpolar_narcotics | |
| CAS: | 109-69-3 | |
| InChi Code: | InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.41 |
experimental value |
| 0.515 |
Tab4a: Baseline model (Training) |
| 0.188 |
Tab4b: Main model (Training) |
| 0.57 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020206 | US EPA CompTox Dashboard |