10967/209 - QDB Compounds

QsarDB Repository

Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.

50 compounds

IDNameDetails
mol11,1,1,3,5,5,5-heptanitropentaneView
mol21,1,1,6,6,6-hexanitro-3-hexyneView
mol33,3,4,4-tetranitrohexaneView
mol42,2,4,4,6,6-hexanitroheptaneView
mol52,2,4,6,6-pentanitroheptaneView
mol62,2,2-Trinitroethyl carbamateView
mol72,2-Dinitro-1,3-propane-diolView
mol8Methyl, 2,2,2-trinitroethyl carbonateView
mol94,4,4-trinitrobutyramideView
mol10Bis-(2,2,2-trinitroethyl) carbonateView
mol11bis-(trinitroethoxy)-methaneView
mol12N,N'-Bis-(2,2,2-trinitroethyl)-ureaView
mol13Ethyl, 2,2,2-trinitroethyl carbonateView
mol14Bis-(trinitroethyl)-oxalateView
mol15Bis-(trinitroethyl)-oxamideView
mol16N-trinitroethyl-4,4,4-trinitrobutyramideView
mol171,5-Bis(trinitroethyl)biuretView
mol18N-(t-butyl)-trinitro-acetamideView
mol191,1,1,7,7,7-hexanitro-4-heptanoneView
mol202,2-dinitropropyl trinitrobutyrateView
mol212,2,2-trinitroethyl-4,4-dinitrovalerateView
mol22bis-(2,2-dinitropropyl) carbonateView
mol23Bis-(trinitropropyl)-ureaView
mol24bis(trinitroethyl) fumarateView
mol25trinitroethyl-bis-(trinitroethoxy)-acetateView
mol264,4,4-trinitrobutyric acid anhydrideView
mol272,2,2-trinitroethyl-4,4-dinitrohexanoateView
mol282-nitroisobutyl 4,4,4-trinitrobutyrateView
mol29tetrakis(2,2,2-trinitroethyl) orthocarbonateView
mol30methylene bis-(4,4,4-trinitrobutyramide)View
mol31Ethylene bis-(4,4,4-trinitrobutyrate)View
mol32N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramideView
mol332,2-dinitropropane-1,3-diol-bis-(4,4,4-trinitro butyrate)View
mol34Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioateView
mol351,1,1,3-tetranitrobutaneView
mol361,1,1,6,6,6-hexanitro-3-hexeneView
mol37N,N'-Methylene-bis-(2,2,2-trinitroacetamide)View
mol385,5,5-trinitro-2-pentanoneView
mol39N-(2-propyl)-trinitroacetamideView
mol402,2,2-Trinitroethyl-4,4,4-trinitrobutyrateView
mol41trinitroethyl 2,2-dinitropropyl carbonateView
mol42Tris-(2,2,2-trinitroethyl) orthoformateView
mol43methylene-bis-[(trinitroethyl)-carbamate] iView
mol442,2-Dinitropropyl 4,4,4-trinitrobutyramideView
mol45N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea iView
mol46Bis-(2,2,2-trinitroethyl)-succinateView
mol47Bis-(2,2-dinitropropyl)-oxalateView
mol48N,N'-bis-(3,3,3-trinitro-propyl)-oxamideView
mol49N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide iView
mol50Bis-(2,2,2-trinitro-ethyl)-4,4-dinitroheptanedioate iView