Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 722GHL96BJ
EPA CompTox DTXSID90176627

Structure

InChI Key GUQRKZPMVLRXLT-UHFFFAOYSA-N
Smiles ONC1CCCCC1
InChI
InChI=1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O1
Molecular Weight 115.1
AlogP 1.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 32.26
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2211-64-5
NORMAN SUSDAT
FDA SRS 722GHL96BJ
PubChem 72935
ChemSpider 65765.0