Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00979005

Structure

InChI Key FLEJOBRWKBPUOX-UHFFFAOYSA-N
Smiles ClC1=CC=C(N)C(I)=C1
InChI
InChI=1/C6H5ClIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5ClIN
Molecular Weight 252.92
AlogP 2.53
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 63069-48-7
NORMAN SUSDAT
PubChem 2757615