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

Structure

InChI Key YZWGEMSQAMDWEM-UHFFFAOYSA-N
Smiles c1ccc2c(c1)ccc3c2ccc4ccc5ccccc5c34
InChI
InChI=1S/C22H14/c1-3-7-18-15(5-1)11-14-21-20(18)13-12-17-10-9-16-6-2-4-8-19(16)22(17)21/h1-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H14
Molecular Weight 278.11
AlogP 6.3
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 194-69-4
NORMAN SUSDAT