| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20170976 |
| InChI Key | XOVFORNMFWVHSY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20Cl1N3O2 |
| Molecular Weight | 297.12 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.8 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18053-44-6 |
| NORMAN SUSDAT | |
| PubChem | 87435 |
| ChemSpider | 78704.0 |