Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6YC8YEW5QR
EPA CompTox DTXSID7060679

Structure

InChI Key KDISMIMTGUMORD-UHFFFAOYSA-N
Smiles CC(=O)N1CCCCC1
InChI
InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O1
Molecular Weight 127.1
AlogP 1.02
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 618-42-8
NORMAN SUSDAT
FDA SRS 6YC8YEW5QR
PubChem 12058
ChemSpider 11561.0