10967/231 - QDB Compounds

QsarDB Repository

Fayet, G.; Rotureau, P. Development of simple QSPR models for the impact sensitivity of nitramines. J. Loss Prev. Process Ind. 2014, 30, 1–8.

Compound

ID:T05
Name:Trinitroethyl-nitroguanidine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C3H5N7O8/c4-2(6-10(17)18)5-1-3(7(11)12,8(13)14)9(15)16/h1H2,(H3,4,5,6)

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.18

experimental value

0.99

Eq6: Model for nitramines (Training set)