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

Structure

InChI Key PYVWGNPFWVQISD-UHFFFAOYSA-N
Smiles Cc1cccc2c1cc3ccc4cccc5ccc2c3c45
InChI
InChI=1S/C21H14/c1-13-4-2-7-17-18-11-10-15-6-3-5-14-8-9-16(12-19(13)17)21(18)20(14)15/h2-12H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H14
Molecular Weight 266.11
AlogP 6.05
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 63041-77-0
NORMAN SUSDAT