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

Structure

InChI Key AGKGUZNUTMWZTB-UHFFFAOYSA-N
Smiles [H+].[Cl-].NCC(=O)Nc1ccc2ccccc2c1
InChI
InChI=1S/C12H12N2O/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O1
Molecular Weight 200.09
AlogP 2.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.61
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 1208-12-4
NORMAN SUSDAT