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:T13
Name:2,2,2-trinitroethyl-3',3',3'-trinitropropylnitramine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H6N8O14/c14-7(15)4(8(16)17,9(18)19)1-2-6(13(26)27)3-5(10(20)21,11(22)23)12(24)25/h1-3H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
0.78

experimental value

0.87

Eq6: Model for nitramines (Training set)