Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W95ZLR4RP5
EPA CompTox DTXSID9059339

Structure

InChI Key BAUWRHPMUVYFOD-UHFFFAOYSA-N
Smiles CN1CCC(O)CC1
InChI
InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O1
Molecular Weight 115.1
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 106-52-5
NORMAN SUSDAT
FDA SRS W95ZLR4RP5
PubChem 66048
ChemSpider 59438.0