Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1F3Q4U9UIS
EPA CompTox DTXSID60862287

Structure

InChI Key FLDRLXJNISEWNZ-UHFFFAOYSA-N
Smiles N=1C=2C=CC=CC2C(=C3C=CC=CC13)C
InChI
InChI=1/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11N
Molecular Weight 193.09
AlogP 3.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 611-64-3
NORMAN SUSDAT
FDA SRS 1F3Q4U9UIS
PubChem 11913