| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QHW8YF5XND |
| EPA CompTox | DTXSID30868498 |
Structure
| InChI Key | NMUOATVLLQEYHI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N1O4 |
| Molecular Weight | 131.02 |
| AlogP | -0.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 98.45 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79067-61-1 |
| NORMAN SUSDAT | |
| FDA SRS | QHW8YF5XND |
CONTENTS
