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: | Va_3 | |
|---|---|---|
| Name: | Chlorpyrifos-methyl | |
| Description: | ||
| Labels: | ||
| CAS: | 5598-13-0 | |
| InChi Code: | InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.7946 |
experimental value |
| -0.10211 |
Eq.3: Model for pesticides (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6032352 | US EPA CompTox Dashboard |