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:T37
Name:2,2,5,7,7,9,12,12-octanitro-5,9-diazatridecane
Description:Chemical name was corrected by the authors
Labels:
CAS:
InChi Code:InChI=1S/C11H18N10O16/c1-9(14(22)23,15(24)25)3-5-12(20(34)35)7-11(18(30)31,19(32)33)8-13(21(36)37)6-4-10(2,16(26)27)17(28)29/h3-8H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.57

experimental value

1.69

Eq6: Model for nitramines (Training set)