Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20875737

Structure

InChI Key GEPYEWPQCQPUJN-DBRKOABJSA-N
Smiles O=[N+]([O-])C1=NC=CN1C2OC(CO)C(O)C2O
InChI
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12N3O6
Molecular Weight 245.06
AlogP -1.6
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 130.88
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 17306-43-3
NORMAN SUSDAT
PubChem 87043