| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E3U7286V3W |
| EPA CompTox | DTXSID40234862 |
Structure
| InChI Key | QXYYYPFGTSJXNS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1N6O2 |
| Molecular Weight | 242.03 |
| AlogP | -1.38 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 108.17 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85622-95-3 |
| NORMAN SUSDAT | |
| FDA SRS | E3U7286V3W |
| PubChem | 71766 |
| ChemSpider | 64805.0 |
CONTENTS
