Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8065088

Structure

InChI Key JJGMIJNIKHHXHK-UHFFFAOYSA-N
Smiles CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChI
InChI=1S/C16H17NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N1O1
Molecular Weight 239.13
AlogP 3.24
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 10479-30-8
NORMAN SUSDAT
PubChem 82657
ChemSpider 74592.0