| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AF1LLO72TM |
| EPA CompTox | DTXSID6020933 |
Structure
| InChI Key | KFUSANSHCADHNJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N3O1 |
| Molecular Weight | 137.06 |
| AlogP | 0.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 71.5 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 553-53-7 |
| NORMAN SUSDAT | |
| FDA SRS | AF1LLO72TM |
| PubChem | 11112 |
| ChemSpider | 10641.0 |
CONTENTS
