Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90160768

Structure

InChI Key OGVOXGPIHFKUGM-UHFFFAOYSA-N
Smiles c1cn2cnc3nc[nH]c3c2n1
InChI
InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5N5
Molecular Weight 159.05
AlogP 0.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 58.87
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13875-63-3
NORMAN SUSDAT
PubChem 104994