Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BAM4HUNVEI
EPA CompTox DTXSID40963322

Structure

InChI Key RIFYDCDZQDTMDB-UHFFFAOYSA-N
Smiles C=1C=C(C(=CC1C2CCCCC2)C)C
InChI
InChI=1/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20
Molecular Weight 188.16
AlogP 4.35
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 4501-53-5
NORMAN SUSDAT
FDA SRS BAM4HUNVEI
PubChem 78257