Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 00SRW0M6PW
EPA CompTox DTXSID7059775

Structure

InChI Key CTAPFRYPJLPFDF-UHFFFAOYSA-N
Smiles o1cccn1
InChI
InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1O1
Molecular Weight 69.02
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 288-14-2
NORMAN SUSDAT
FDA SRS 00SRW0M6PW
PubChem 9254
ChemSpider 8897.0