| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KQY2J46UC9 |
| EPA CompTox | DTXSID70185318 |
| InChI Key | VDVSMECTBFVDFQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14Cl1N3O2 |
| Molecular Weight | 267.08 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 74.05 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 31399-84-5 |
| NORMAN SUSDAT | |
| FDA SRS | KQY2J46UC9 |
| PubChem | 11970462 |
| ChemSpider | 10143845.0 |