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:T23
Name:2,2,2-Trinitroethyl-2,4,6,6-tetranitro-2,4-diazaheptanoate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H9N9O16/c1-6(10(18)19,11(20)21)2-8(15(28)29)4-9(16(30)31)5(17)32-3-7(12(22)23,13(24)25)14(26)27/h2-4H2,1H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.26

experimental value

1.19

Eq6: Model for nitramines (Training set)