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:T34
Name:Bis-(2,2,2-trinitroethyl)-4-nitraza-1,7-heptanedioate
Description:Chemical name was corrected by the authors
Labels:
CAS:
InChi Code:InChI=1S/C10H12N8O18/c19-7(35-5-9(12(21)22,13(23)24)14(25)26)1-3-11(18(33)34)4-2-8(20)36-6-10(15(27)28,16(29)30)17(31)32/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.46

experimental value

1.54

Eq6: Model for nitramines (Training set)