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_16 | |
|---|---|---|
| Name: | Coumaphos | |
| Description: | ||
| Labels: | ||
| CAS: | 56-72-4 | |
| InChi Code: | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.6302 |
experimental value |
| 0.2088 |
Eq.3: Model for pesticides (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020347 | US EPA CompTox Dashboard |