Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4HLN4W3ZSN
EPA CompTox DTXSID40176319

Structure

InChI Key YKYJSUGMSFMGHC-UHFFFAOYSA-N
Smiles C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChI
InChI=1S/C25H22N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N2
Molecular Weight 350.18
AlogP 6.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 6.48
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 21905-92-0
NORMAN SUSDAT
FDA SRS 4HLN4W3ZSN
PubChem 89100
ChemSpider 80398.0