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

Structure

InChI Key PWBKDZWODDXCDC-UHFFFAOYSA-N
Smiles N1c2ccccc2C(C2c3ccccc3Nc3ccccc23)c2ccccc12
InChI
InChI=1S/C26H20N2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16,25-28H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H20N2
Molecular Weight 360.16
AlogP 6.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 24.06
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 120928-04-3
NORMAN SUSDAT
PubChem 10893757
ChemSpider 9069020.0