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

Structure

InChI Key JYVYSXOKKXPQHQ-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C1=C(C3=CC=CC4=C3C1=CC=C4)C1=CC=CC=C21
InChI
InChI=1S/C24H14/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)24-21-14-6-8-15-7-5-13-20(22(15)21)23(18)24/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 203-18-9
NORMAN SUSDAT