10967/225 - QDB Compounds

QsarDB Repository

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:33
Name:Cyclonite
Description:
Labels:
CAS:121-82-4
InChi Code:InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2

Properties

LOAEL: Rat chronic LOAEL [log(umol/kg)]

ValueSource or prediction
0.83

experimental value

1.12

QSAR: Model for chronic toxicity (Training set)