| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1318C52Y93 |
| EPA CompTox | DTXSID00220701 |
Structure
| InChI Key | MBYRIGCRDZOZTI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl4N1O1 |
| Molecular Weight | 258.91 |
| AlogP | 3.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70439-96-2 |
| NORMAN SUSDAT | |
| FDA SRS | 1318C52Y93 |
CONTENTS
