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

Structure

InChI Key UXDAAYMFPFYGMU-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C=C1C3=CC=CC4=C3C(=CC=C4)C3=C1C2=CC=C3
InChI
InChI=1S/C24H14/c1-2-9-17-16(6-1)14-22-21-11-4-8-15-7-3-10-19(23(15)21)20-13-5-12-18(17)24(20)22/h1-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H14
Molecular Weight 302.11
AlogP 6.89
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 197-70-6
NORMAN SUSDAT