Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.
Compound
| ID: | Tr_26 | |
|---|---|---|
| Name: | Heptachlor | |
| Description: | ||
| Labels: | ||
| CAS: | 76-44-8 | |
| InChi Code: | InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.6083 |
experimental value |
| 0.34072 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020679 | US EPA CompTox Dashboard |