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_69 | |
|---|---|---|
| Name: | 2,6-Dibromo-4-cyanophenyl heptanoate | |
| Description: | ||
| Labels: | ||
| CAS: | 56634-95-8 | |
| InChi Code: | InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.0655 |
experimental value |
| -0.94711 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8032592 | US EPA CompTox Dashboard |