| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XLX5WT26UB |
| EPA CompTox | DTXSID30173291 |
Structure
| InChI Key | IPMNLGOBXWTQRV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5N3 |
| Molecular Weight | 143.05 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 73.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19619-22-8 |
| NORMAN SUSDAT | |
| FDA SRS | XLX5WT26UB |
| PubChem | 88169 |
| ChemSpider | 79542.0 |
CONTENTS
