Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UK6P2PD3XD
EPA CompTox DTXSID1065346

Structure

InChI Key QBUDWHWPQWURCC-UHFFFAOYSA-N
Smiles OCN1CCCCCC1=O
InChI
InChI=1S/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O2
Molecular Weight 143.09
AlogP 0.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 40.54
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13088-64-7
NORMAN SUSDAT
FDA SRS UK6P2PD3XD
PubChem 83127
ChemSpider 74995.0