Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40199220

Structure

InChI Key MBEVSMZJMIQVBG-UHFFFAOYSA-N
Smiles NC(=N)NCO
InChI
InChI=1S/C2H7N3O/c3-2(4)5-1-6/h6H,1H2,(H4,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7N3O1
Molecular Weight 89.06
AlogP -1.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 82.13
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 51209-96-2
NORMAN SUSDAT
PubChem 174875
ChemSpider 152495.0