| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MJE3791M4T |
| EPA CompTox | DTXSID7064102 |
Structure
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N1O3 |
| Molecular Weight | 115.03 |
| AlogP | -0.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 57.61 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6066-82-6 |
| NORMAN SUSDAT | |
| FDA SRS | MJE3791M4T |
| PubChem | 80170 |
| ChemSpider | 72416.0 |
CONTENTS
