Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MZR65H4E7T
EPA CompTox DTXSID4067066

Structure

InChI Key YBSXDWIAUZOFFV-UHFFFAOYSA-N
Smiles O/N=C/c1c(Cl)cccc1Cl
InChI
InChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl2N1O1
Molecular Weight 188.97
AlogP 2.8
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.59
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 25185-95-9
NORMAN SUSDAT
FDA SRS MZR65H4E7T
PubChem 91328
ChemSpider 7855189.0