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

Structure

InChI Key KXNMMEVJUAYWHP-UHFFFAOYSA-N
Smiles CC(C(C(C)c1ccccc1)c2ccc(C)cc2)c3ccccc3
InChI
InChI=1S/C24H26/c1-18-14-16-23(17-15-18)24(19(2)21-10-6-4-7-11-21)20(3)22-12-8-5-9-13-22/h4-17,19-20,24H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26
Molecular Weight 314.2
AlogP 6.69
Number of Rotational Bond 5.0
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 51158-41-9
NORMAN SUSDAT