Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SC345TN8SW
EPA CompTox DTXSID4061466

Structure

InChI Key YQZBFMJOASEONC-UHFFFAOYSA-N
Smiles CCCc1ccccc1C
InChI
InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.95
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1074-17-5
NORMAN SUSDAT
FDA SRS SC345TN8SW
PubChem 14091
ChemSpider 13471.0