| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3A837VZ81Y |
| EPA CompTox | DTXSID3058292 |
Structure
| InChI Key | CFRPSFYHXJZSBI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15ClN4O2 |
| Molecular Weight | 270.09 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 71.3 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 120738-89-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3A837VZ81Y |
| PubChem | 86457 |
| ChemSpider | 77972.0 |
CONTENTS
