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:T36
Name:Bis-(trinitroethyl)-5,5-dinitro-2,8-dinitrazanonadioate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H12N12O24/c24-7(46-5-10(16(30)31,17(32)33)18(34)35)12(22(42)43)3-1-9(14(26)27,15(28)29)2-4-13(23(44)45)8(25)47-6-11(19(36)37,20(38)39)21(40)41/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.08

experimental value

1.21

Eq6: Model for nitramines (Training set)