| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LN9NCA5P2M |
| EPA CompTox | DTXSID50239868 |
| InChI Key | XBLPHYSLHRGMNW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3Cl1N2O2 |
| Molecular Weight | 181.99 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.93 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 939-80-0 |
| NORMAN SUSDAT | |
| FDA SRS | LN9NCA5P2M |
| PubChem | 13655 |
| ChemSpider | 13066.0 |