| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40232787 |
| InChI Key | IFFCYOSBJAYENL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11Cl1N2O2 |
| Molecular Weight | 214.05 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.06 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 83898-19-5 |
| NORMAN SUSDAT | |
| PubChem | 3019449 |
| ChemSpider | 2286658.0 |