Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OVYNZJGOWOXAKN-UHFFFAOYSA-N
Smiles [O-][N+](=O)c1cc2c(cccc2[N+]([O-])=O)c(c1)[N+]([O-])=O
InChI
InChI=1S/C10H5N3O6/c14-11(15)6-4-8-7(10(5-6)13(18)19)2-1-3-9(8)12(16)17/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H5N3O6
Molecular Weight 263.02
AlogP 2.56
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 129.42
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 2243-94-9
NORMAN SUSDAT