Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6Q2W6L7BWZ
EPA CompTox DTXSID5073377

Structure

InChI Key HIHCTGNZNHSZPP-UHFFFAOYSA-N
Smiles Cc1c(Cl)ccc(N)c1
InChI
InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/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 7149-75-9
NORMAN SUSDAT
FDA SRS 6Q2W6L7BWZ
PubChem 23536
ChemSpider 22006.0