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:T24
Name:Bis-(2,2,2-trinitroethyl)-3-nitrazaglutarate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H8N8O18/c17-5(33-3-7(10(19)20,11(21)22)12(23)24)1-9(16(31)32)2-6(18)34-4-8(13(25)26,14(27)28)15(29)30/h1-4H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.15

experimental value

1.25

Eq6: Model for nitramines (Training set)