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_18 | |
|---|---|---|
| Name: | Diphacinone | |
| Description: | ||
| Labels: | ||
| CAS: | 82-66-6 | |
| InChi Code: | InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.1198 |
experimental value |
| -0.70434 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4032378 | US EPA CompTox Dashboard |