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: | 54 | |
|---|---|---|
| Name: | 3,4-dimethylphenol | |
| Description: | ||
| Labels: | Training, Phenols, Polar_narcotics | |
| CAS: | 95-65-8 | |
| InChi Code: | InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.58 |
experimental value |
| 0.384 |
Tab4b: Main model (Training) |
| 0.518 |
Tab4c: Response surface model (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4024062 | US EPA CompTox Dashboard |