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

Structure

InChI Key AXSJLZJXXUBRBS-UHFFFAOYSA-N
Smiles c1ccc2cc3c(cc2c1)cc4ccc5cccc6ccc3c4c56
InChI
InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/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 196-42-9
NORMAN SUSDAT