| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1C2N58DT4P |
| EPA CompTox | DTXSID3058169 |
Structure
| InChI Key | IQGKIPDJXCAMSM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6ClN5O |
| Molecular Weight | 247.03 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 70.54 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 72459-58-6 |
| NORMAN SUSDAT | |
| FDA SRS | 1C2N58DT4P |
| PubChem | 93422 |
| ChemSpider | 84327.0 |
CONTENTS
