Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NKSFFULBNKIAOF-UHFFFAOYSA-N
Smiles C=1C=CC=2C=C3C(=CC2C1)C=4C=CC5=CC=CC=C5C4C3
InChI
InChI=1/C21H14/c1-2-7-16-12-20-17(11-15(16)6-1)13-21-18-8-4-3-5-14(18)9-10-19(20)21/h1-12H,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H14
Molecular Weight 266.11
AlogP 5.56
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 239-85-0
NORMAN SUSDAT
PubChem 67481