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:V11
Name:2,2-dinitropropyl-5,5,5-trinitro-2-nitrazapentaneoate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H9N7O14/c1-6(9(16)17,10(18)19)4-28-5(15)8(14(26)27)3-2-7(11(20)21,12(22)23)13(24)25/h2-4H2,1H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.2

experimental value

1.37

Eq6: Model for nitramines (Test set)