Könemann, H. Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants. Toxicology 1981, 19, 3, 209–221.
Compound
| ID: | 1 | |
|---|---|---|
| Name: | Benzene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: |
Properties
pLC50: 14 and 7-day Guppy toxicity as log(1/LC50) [log(L/µmol)]
| Value | Source or prediction |
|---|---|
| -2.91 |
experimental value |
| -2.83015 |
Eq2: Bezene and chlorobenzenes (Nos. 1,2,4-16) (Training) |
| -3.00809 |
Eq3: Bezene and chlorobenzenes extended (Nos. 1-21) (Training) |
| -3.01477 |
Eq4: Classical baseline model (Nos.1-21,27-55) (Training) |
| -2.95328 |
Eq5: Correlation with solubility in water (Nos. 1,2,4-14,17-20,27,28,32-36,38-40) (Training) |
| -3.03105 |
Eq6: Correlation with logPoct for compounds with solubility in water data (Training) |
| -2.8476 |
Eq7: Correlation with HPLC retention index (Nos. 1,2,4-16) (Training) |
| -2.91986 |
Eq8: Correlation with logPoct for compounds with HPLC retention index data (Training) |
| -4.282264 |
Eq9: Correlation of baseline compounds with zero order molecular valence connectivity index (Training) |
| -3.451536 |
Eq11: Chloroalkanes and aromatic compounds (Nos. 1-19, 27-43) (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3039242 | US EPA CompTox Dashboard |