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_72 | |
|---|---|---|
| Name: | Cyclanilide | |
| Description: | ||
| Labels: | ||
| CAS: | 113136-77-9 | |
| InChi Code: | InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17) |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.9737 |
experimental value |
| -0.98573 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5032600 | US EPA CompTox Dashboard |