Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EYE4CFF4RV
EPA CompTox DTXSID20220102

Structure

InChI Key WUESWDIHTKHGQA-UHFFFAOYSA-N
Smiles NC(=O)NC1CCCCC1
InChI
InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O1
Molecular Weight 142.11
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 56.11
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 698-90-8
NORMAN SUSDAT
FDA SRS EYE4CFF4RV
PubChem 69684
ChemSpider 62885.0