| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DFZ9452WV2 |
| EPA CompTox | DTXSID70183591 |
| InChI Key | RDRNLYCDZBVQKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8Cl1N5 |
| Molecular Weight | 221.05 |
| AlogP | 1.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 92.17 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29366-77-6 |
| NORMAN SUSDAT | |
| FDA SRS | DFZ9452WV2 |
| PubChem | 97399 |
| ChemSpider | 87913.0 |