Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9ANQ5DB3A2
EPA CompTox DTXSID9063611

Structure

InChI Key LKPFBGKZCCBZDK-UHFFFAOYSA-N
Smiles ON1CCCCC1
InChI
InChI=1S/C5H11NO/c7-6-4-2-1-3-5-6/h7H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O1
Molecular Weight 101.08
AlogP 0.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4801-58-5
NORMAN SUSDAT
FDA SRS 9ANQ5DB3A2
PubChem 20935
ChemSpider 19696.0