Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UYV55A79UH
EPA CompTox DTXSID60183363

Structure

InChI Key QPHAGNNWDZSKJH-UHFFFAOYSA-N
Smiles Clc1c2ccccc2n[nH]1
InChI
InChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl1N2
Molecular Weight 152.01
AlogP 2.22
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29110-74-5
NORMAN SUSDAT
FDA SRS UYV55A79UH
PubChem 95894
ChemSpider 86569.0