Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.
Compound
| ID: | 60 | |
|---|---|---|
| Name: | Ally | |
| Description: | ||
| Labels: | ||
| CAS: | 74223-64-6 | |
| InChi Code: | InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) |
Properties
LOAEL: Rat chronic LOAEL [log(umol/kg)]
| Value | Source or prediction |
|---|---|
| 2.82 |
experimental value |
| 2.25 |
QSAR: Model for chronic toxicity (Training set) |