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:T35
Name:Bis-(2,2,2-trinitroethyl)-3,6-dinitraza-1,8-octanedioate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H12N10O20/c21-7(39-5-9(13(23)24,14(25)26)15(27)28)3-11(19(35)36)1-2-12(20(37)38)4-8(22)40-6-10(16(29)30,17(31)32)18(33)34/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.46

experimental value

1.37

Eq6: Model for nitramines (Training set)