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

Structure

InChI Key ZEAWSFHWVLOENK-UHFFFAOYSA-N
Smiles Nc1ccc2c(ccc3ccccc23)c1
InChI
InChI=1S/C14H11N/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11N1
Molecular Weight 193.09
AlogP 3.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 3366-65-2
NORMAN SUSDAT