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:T25
Name:Bis-(trinitroethyl)-2,4,6-trinitrazaheptanedioate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H8N12O22/c21-5(41-1-7(12(23)24,13(25)26)14(27)28)10(19(37)38)3-9(18(35)36)4-11(20(39)40)6(22)42-2-8(15(29)30,16(31)32)17(33)34/h1-4H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.11

experimental value

0.99

Eq6: Model for nitramines (Training set)