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: | 63 | |
|---|---|---|
| Name: | 4-chlorotoluene | |
| Description: | ||
| Labels: | Training, Benzenes, Nonpolar_narcotics | |
| CAS: | 106-43-4 | |
| InChi Code: | InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 1.57 |
experimental value |
| 1.119 |
Tab4a: Baseline model (Training) |
| 1.31 |
Tab4b: Main model (Training) |
| 1.403 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024814 | US EPA CompTox Dashboard |