| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30232938 |
| InChI Key | DFAXRJSIQCUYIO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14Cl1N5 |
| Molecular Weight | 227.09 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.19 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84041-64-5 |
| NORMAN SUSDAT | |
| PubChem | 11970767 |
| ChemSpider | 10144149.0 |