Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7T95T8UHI8
EPA CompTox DTXSID501308658

Structure

InChI Key KEXCNWISTVJVBV-UHFFFAOYSA-N
Smiles CCC=CCC=CC=CC=O
InChI
InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 66642-86-2
NORMAN SUSDAT
FDA SRS 7T95T8UHI8