| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1NMN2MY1CW |
| EPA CompTox | DTXSID0041775 |
| InChI Key | XQNAUQUKWRBODG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H6Cl3N1O3 |
| Molecular Weight | 316.94 |
| AlogP | 5.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1836-77-7 |
| NORMAN SUSDAT | |
| FDA SRS | 1NMN2MY1CW |
| PubChem | 15788 |
| ChemSpider | 15011.0 |