Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K9T9YK3VJU
EPA CompTox DTXSID8062492

Structure

InChI Key ANJPRQPHZGHVQB-UHFFFAOYSA-N
Smiles CCCCCCN=C=O
InChI
InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O1
Molecular Weight 127.1
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 29.43
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2525-62-4
NORMAN SUSDAT
FDA SRS K9T9YK3VJU
PubChem 75659
ChemSpider 68179.0