Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ETN8F3SB4R
EPA CompTox DTXSID30211066

Structure

InChI Key CVDGNRZPDAXOQO-UHFFFAOYSA-N
Smiles OCCCN1CCCC1=O
InChI
InChI=1S/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O2
Molecular Weight 143.09
AlogP -0.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 40.54
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 62012-15-1
NORMAN SUSDAT
FDA SRS ETN8F3SB4R
PubChem 566744
ChemSpider 97491.0