| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KV6E26KT6Q |
| EPA CompTox | DTXSID00208408 |
Structure
| InChI Key | MPQPXMRGNQJXGO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N3O4 |
| Molecular Weight | 189.07 |
| AlogP | 0.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 7.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 152.47 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 597-59-1 |
| NORMAN SUSDAT | |
| FDA SRS | KV6E26KT6Q |
| PubChem | 69006 |
| ChemSpider | 62228.0 |
CONTENTS
