Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YC2P4IBF1E
EPA CompTox DTXSID4064000

Structure

InChI Key AGQOIYCTCOEHGR-UHFFFAOYSA-N
Smiles Cc1ccno1
InChI
InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N1O1
Molecular Weight 83.04
AlogP 0.98
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5765-44-6
NORMAN SUSDAT
FDA SRS YC2P4IBF1E
PubChem 79833
ChemSpider 72126.0