Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID50885985

Structure

InChI Key CHVNPOOMQVUQHU-UHFFFAOYSA-M
Smiles [Cl-].C=1C=CC(=CC1)C[N+]=2C=CC(=C3C=CC=CC32)C
InChI
InChI=1/C17H16N.ClH/c1-14-11-12-18(13-15-7-3-2-4-8-15)17-10-6-5-9-16(14)17;/h2-12H,13H2,1H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16N
Molecular Weight 269.1
AlogP 0.49
Number of Rotational Bond 2.0
Polar Surface Area 3.88
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 52181-07-4
NORMAN SUSDAT
PubChem 104108