Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 33NGJ21B5B
EPA CompTox DTXSID0074554

Structure

InChI Key HPSCXFOQUFPEPE-UHFFFAOYSA-N
Smiles Cc1ccc(Cl)c(N)c1
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8Cl1N1
Molecular Weight 141.03
AlogP 2.23
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 95-81-8
NORMAN SUSDAT
FDA SRS 33NGJ21B5B
PubChem 66770
ChemSpider 60136.0