| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TW3E7TG8SM |
| EPA CompTox | DTXSID30233723 |
| InChI Key | SJONDWFGXJKKJU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18Cl1N5O1 |
| Molecular Weight | 283.12 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.24 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84712-79-8 |
| NORMAN SUSDAT | |
| FDA SRS | TW3E7TG8SM |
| PubChem | 11970864 |
| ChemSpider | 10144245.0 |