Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AN0073G1C0
EPA CompTox DTXSID10872977

Structure

InChI Key QBBCCEYJCKGWIK-UHFFFAOYSA-N
Smiles C=1C=CC2=C(C1)C=3C=CC=CC3C2CC
InChI
InChI=1/C15H14/c1-2-11-12-7-3-5-9-14(12)15-10-6-4-8-13(11)15/h3-11H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14
Molecular Weight 194.11
AlogP 4.21
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2294-82-8
NORMAN SUSDAT
FDA SRS AN0073G1C0
PubChem 16801