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_19 | |
|---|---|---|
| Name: | Dodine | |
| Description: | ||
| Labels: | ||
| CAS: | 2439-10-3 | |
| InChi Code: | InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4) |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.4664 |
experimental value |
| -1.40195 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020548 | US EPA CompTox Dashboard |