5,5,13,13-TETRADEHYDRO-4,5-DIHYDRO-4,8,10,15-TETRANITRO-7,11-METHENO-11H,13H-TETRAZOLO[1,5-C][1,7,3,5,2,6]DIOXADIAZADIPLUMBACYCLODODECINE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HURPOIVZCDCEEE-UHFFFAOYSA-N
Smiles [Pb++].[Pb++].[O-]c1c(cc(c([O-])c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.[O-][N+](=O)[N-]c2n[n-]nn2
InChI
InChI=1S/CH2N6O2/c8-7(9)4-1-2-5-6-3-1/h(H2,2,3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H2N6O2
Molecular Weight 130.02
AlogP -1.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 109.63
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 19651-80-0
NORMAN SUSDAT
CONTENTS