| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TW5LFP3QGS |
| EPA CompTox | DTXSID70163353 |
Structure
| InChI Key | QDUJVEOOSNUDDW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5Cl1N4 |
| Molecular Weight | 144.02 |
| AlogP | 0.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 78.55 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14631-08-4 |
| NORMAN SUSDAT | |
| FDA SRS | TW5LFP3QGS |
| PubChem | 84565 |
| ChemSpider | 76287.0 |
CONTENTS
