Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5BFR4B47YA
EPA CompTox DTXSID8064488

Structure

InChI Key CHHCCYVOJBBCIY-UHFFFAOYSA-N
Smiles CN(C)c1cccc(Cl)c1
InChI
InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)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 6848-13-1
NORMAN SUSDAT
FDA SRS 5BFR4B47YA
PubChem 23285
ChemSpider 21172620.0