| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PNM7XQN5SC |
| EPA CompTox | DTXSID50182183 |
| InChI Key | KTHTXLUIEAIGCD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl2N1O2 |
| Molecular Weight | 204.97 |
| AlogP | 2.27 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.32 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2789-92-6 |
| NORMAN SUSDAT | |
| FDA SRS | PNM7XQN5SC |
| PubChem | 76036 |
| ChemSpider | 68531.0 |