Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1T6L7S01J4
EPA CompTox DTXSID7061308

Structure

InChI Key GGYVTHJIUNGKFZ-UHFFFAOYSA-N
Smiles CN1CCCCC1=O
InChI
InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O1
Molecular Weight 113.08
AlogP 0.63
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 931-20-4
NORMAN SUSDAT
FDA SRS 1T6L7S01J4
PubChem 13603
ChemSpider 13014.0