| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5067392 |
| InChI Key | PVIUZYZWJNQCIR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Cl1N2O2 |
| Molecular Weight | 200.04 |
| AlogP | 2.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.17 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 28491-95-4 |
| NORMAN SUSDAT | |
| PubChem | 97006 |
| ChemSpider | 87574.0 |