| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XTV46J7E54 |
| EPA CompTox | DTXSID50198229 |
| InChI Key | AAJZJNHQPBMCFV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6Cl1N3O1 |
| Molecular Weight | 159.02 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.76 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5018-41-7 |
| NORMAN SUSDAT | |
| FDA SRS | XTV46J7E54 |
| PubChem | 78721 |
| ChemSpider | 71065.0 |