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: | 27 | |
|---|---|---|
| Name: | 2,4,6-trimethylphenol | |
| Description: | ||
| Labels: | Training, Phenols, Polar_narcotics | |
| CAS: | 527-60-6 | |
| InChi Code: | InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 1.15 |
experimental value |
| 0.766 |
Tab4b: Main model (Training) |
| 0.886 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022049 | US EPA CompTox Dashboard |