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:T20
Name:2,2,2-trinitroethyl-3,3-dinitrobutyl nitramine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H9N7O12/c1-5(8(14)15,9(16)17)2-3-7(13(24)25)4-6(10(18)19,11(20)21)12(22)23/h2-4H2,1H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.3

experimental value

1.27

Eq6: Model for nitramines (Training set)