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

Structure

InChI Key UFZAKNUHTLXSMY-UHFFFAOYSA-N
Smiles C1=CC2=CC3=CC4=C(C=C3C=C2C=C1)C1=C2C4=CC=CC2=CC=C1
InChI
InChI=1S/C24H14/c1-2-6-17-12-19-14-23-21-10-4-8-15-7-3-9-20(24(15)21)22(23)13-18(19)11-16(17)5-1/h1-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H14
Molecular Weight 302.11
AlogP 6.79
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 207-18-1
NORMAN SUSDAT