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

Structure

InChI Key QBSMHWVGUPQNJJ-UHFFFAOYSA-N
Smiles Nc1ccc(cc1)c2ccc(cc2)c3ccc(N)cc3
InChI
InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16N2
Molecular Weight 260.13
AlogP 4.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.04
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3365-85-3
NORMAN SUSDAT