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:T22
Name:N-nitro-N,N'-bis-(trinitropropyl)-urea
Description:Descriptor (nC-O-C) value and calculated impact sensitivity were corrected by the authors
Labels:
CAS:
InChi Code:InChI=1S/C7H9N9O15/c17-5(8-3-1-6(10(18)19,11(20)21)12(22)23)9(16(30)31)4-2-7(13(24)25,14(26)27)15(28)29/h1-4H2,(H,8,17)

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.32

experimental value

1.13

Eq6: Model for nitramines (Training set)