| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 548PQG844S |
| EPA CompTox | DTXSID4063822 |
| InChI Key | CLMQUEQFVUMDPC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Cl1N3O4 |
| Molecular Weight | 216.99 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 112.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5388-62-5 |
| NORMAN SUSDAT | |
| FDA SRS | 548PQG844S |
| PubChem | 21484 |
| ChemSpider | 20191.0 |