Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QDJ2NX35FV
EPA CompTox DTXSID50220099

Structure

InChI Key IONGEXNDPXANJD-UHFFFAOYSA-N
Smiles CN(C)c1ccc(cc1)Cl
InChI
InChI=1S/C8H10ClN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10Cl1N1
Molecular Weight 155.05
AlogP 2.41
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 698-69-1
NORMAN SUSDAT
FDA SRS QDJ2NX35FV
PubChem 136530
ChemSpider 21539183.0