| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NA44TYF9XH |
| EPA CompTox | DTXSID50185376 |
Structure
| InChI Key | WFIWHFWPQQSJDD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O3 |
| Molecular Weight | 153.04 |
| AlogP | 0.98 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.54 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3147-50-0 |
| NORMAN SUSDAT | |
| FDA SRS | NA44TYF9XH |
| PubChem | 76602 |
| ChemSpider | 69067.0 |
CONTENTS
