| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9DUJ3CMK8S |
| EPA CompTox | DTXSID0045836 |
Structure
| InChI Key | UUKWKUSGGZNXGA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N3O5 |
| Molecular Weight | 211.02 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 130.36 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 121-81-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9DUJ3CMK8S |
| PubChem | 4511 |
| ChemSpider | 4355.0 |
CONTENTS
