| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C7BN4VYW9J |
| EPA CompTox | DTXSID60165700 |
| InChI Key | JVNONOVWALQTEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12Cl1N5 |
| Molecular Weight | 225.08 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 69.19 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15468-86-7 |
| NORMAN SUSDAT | |
| FDA SRS | C7BN4VYW9J |
| PubChem | 27306 |
| ChemSpider | 25414.0 |