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:V17
Name:Bis-(trinitroethyl)-2,5,8-trinitrazanonanedioate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H12N12O22/c23-7(43-5-9(14(25)26,15(27)28)16(29)30)12(21(39)40)3-1-11(20(37)38)2-4-13(22(41)42)8(24)44-6-10(17(31)32,18(33)34)19(35)36/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.23

experimental value

1.23

Eq6: Model for nitramines (Test set)