| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10408154 |
| InChI Key | TWXMQDRFBLSXFN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8Cl1N1O2 |
| Molecular Weight | 173.02 |
| AlogP | 1.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 36.17 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 122307-41-9 |
| NORMAN SUSDAT | |
| PubChem | 5083929 |
| ChemSpider | 4260208.0 |