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:T29
Name:N,N'-dinitromethylene-bis-(4,4,4-trinitro)-butyramide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10N10O18/c20-6(1-3-8(12(22)23,13(24)25)14(26)27)10(18(34)35)5-11(19(36)37)7(21)2-4-9(15(28)29,16(30)31)17(32)33/h1-5H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.11

experimental value

1.09

Eq6: Model for nitramines (Training set)