Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7UF46BAB8U
EPA CompTox DTXSID50862433

Structure

InChI Key VUKHQPGJNTXTPY-UHFFFAOYSA-N
Smiles C=1C=CC(=CC1)CC=CC
InChI
InChI=1/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 2.81
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1560-06-1
NORMAN SUSDAT
FDA SRS 7UF46BAB8U
PubChem 15263