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:T14
Name:N,N'-(bis-2,2,2-trinitroethyl)-N,N'-dinitromethanediamine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H6N10O16/c16-8(17)4(9(18)19,10(20)21)1-6(14(28)29)3-7(15(30)31)2-5(11(22)23,12(24)25)13(26)27/h1-3H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
0.7

experimental value

0.76

Eq6: Model for nitramines (Training set)