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:T33
Name:1,1,1,3,6,6,9,11,11,11-decanitro-3,9-diazaundecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H12N12O20/c22-12(23)7(13(24)25,1-3-10(20(38)39)5-8(14(26)27,15(28)29)16(30)31)2-4-11(21(40)41)6-9(17(32)33,18(34)35)19(36)37/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1

experimental value

1.12

Eq6: Model for nitramines (Training set)