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_22 | |
|---|---|---|
| Name: | EPN | |
| Description: | ||
| Labels: | ||
| CAS: | 2104-64-5 | |
| InChi Code: | InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.0331 |
experimental value |
| 0.03821 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022174 | US EPA CompTox Dashboard |