Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4W2635V9QA
EPA CompTox DTXSID40187566

Structure

InChI Key COHHZMJBMIHLGF-UHFFFAOYSA-N
Smiles ClC(=O)N1c2ccccc2CCc2c1cccc2
InChI
InChI=1S/C15H12ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12Cl1N1O1
Molecular Weight 257.06
AlogP 4.28
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 33948-19-5
NORMAN SUSDAT
FDA SRS 4W2635V9QA
PubChem 118579
ChemSpider 93020.0