Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P27V53MH26
EPA CompTox DTXSID50871843

Structure

InChI Key PFURGBBHAOXLIO-UHFFFAOYSA-N
Smiles OC1CCCCC1O
InChI
InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O2
Molecular Weight 116.08
AlogP 0.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 931-17-9
NORMAN SUSDAT
FDA SRS P27V53MH26