Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 0BK4F3B6ZX
EPA CompTox DTXSID60884207

Structure

InChI Key FDBQTRARWCKEJY-UHFFFAOYSA-N
Smiles Cl.OC1=CC=C(N)C=2C=CC=CC12
InChI
InChI=1/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9NO
Molecular Weight 195.05
AlogP 2.55
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 5959-56-8
NORMAN SUSDAT
FDA SRS 0BK4F3B6ZX
PubChem 17815