Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RP2TBX3D98
EPA CompTox DTXSID4066541

Structure

InChI Key FOYMVHMUBKHXLY-UHFFFAOYSA-N
Smiles Cc1c(Cl)ccc(N)c1Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl2N1
Molecular Weight 175.0
AlogP 2.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 19853-79-3
NORMAN SUSDAT
FDA SRS RP2TBX3D98
PubChem 88282
ChemSpider 75511.0