| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HMJ3NEC9W7 |
| EPA CompTox | DTXSID7051979 |
Structure
| InChI Key | IPPYBNCEPZCLNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N3O9 |
| Molecular Weight | 255.03 |
| AlogP | -0.38 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 157.11 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3032-55-1 |
| NORMAN SUSDAT | |
| FDA SRS | HMJ3NEC9W7 |
| PubChem | 76423 |
| ChemSpider | 68895.0 |
CONTENTS
