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: | 14 | |
|---|---|---|
| Name: | Pentachlorobenzene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: |
Properties
pLC50: 14 and 7-day Guppy toxicity as log(1/LC50) [log(L/µmol)]
| Value | Source or prediction |
|---|---|
| 0.15 |
experimental value |
| 0.17805 |
Eq2: Bezene and chlorobenzenes (Nos. 1,2,4-16) (Training) |
| 0.22083 |
Eq3: Bezene and chlorobenzenes extended (Nos. 1-21) (Training) |
| 0.08599 |
Eq4: Classical baseline model (Nos.1-21,27-55) (Training) |
| 0.10396 |
Eq5: Correlation with solubility in water (Nos. 1,2,4-14,17-20,27,28,32-36,38-40) (Training) |
| 0.22635 |
Eq6: Correlation with logPoct for compounds with solubility in water data (Training) |
| 0.1496 |
Eq7: Correlation with HPLC retention index (Nos. 1,2,4-16) (Training) |
| 0.20582 |
Eq8: Correlation with logPoct for compounds with HPLC retention index data (Training) |
| 0.218503 |
Eq9: Correlation of baseline compounds with zero order molecular valence connectivity index (Training) |
| 0.074722 |
Eq11: Chloroalkanes and aromatic compounds (Nos. 1-19, 27-43) (Training) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024247 | US EPA CompTox Dashboard |