| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2SJ6Y866TU |
| EPA CompTox | DTXSID00152593 |
| InChI Key | NDRZSRWMMUGOBP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7Cl1N2 |
| Molecular Weight | 178.03 |
| AlogP | 2.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 38.91 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1198-40-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2SJ6Y866TU |
| PubChem | 94711 |
| ChemSpider | 85459.0 |