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:T12
Name:1,3,3,5,5-pentanitropiperidine
Description:
Labels:
CAS:71706-07-5
InChi Code:InChI=1S/C5H6N6O10/c12-7(13)4(8(14)15)1-5(9(16)17,10(18)19)3-6(2-4)11(20)21/h1-3H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.15

experimental value

1.2

Eq6: Model for nitramines (Training set)