Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6G5ELX5XYN
EPA CompTox DTXSID2031374

Structure

InChI Key FMAZQSYXRGRESX-UHFFFAOYNA-N
Smiles NC(=O)C1CO1
InChI
InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N1O2
Molecular Weight 87.03
AlogP -0.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 56.61
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5694-00-8
NORMAN SUSDAT
FDA SRS 6G5ELX5XYN
ChemSpider 82664.0