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

Structure

InChI Key JDPBLCQVGZLACA-UHFFFAOYSA-N
Smiles c1ccc2c(c1)cc3cccc4c5cccc6cccc(c56)c2c34
InChI
InChI=1S/C24H14/c1-2-10-18-16(6-1)14-17-9-5-12-20-19-11-3-7-15-8-4-13-21(22(15)19)24(18)23(17)20/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 191-85-5
NORMAN SUSDAT