| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T6P4T52V9W |
| EPA CompTox | DTXSID2025765 |
Structure
| InChI Key | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O3 |
| Molecular Weight | 139.03 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 554-84-7 |
| NORMAN SUSDAT | |
| FDA SRS | T6P4T52V9W |
| PubChem | 11137 |
| ChemSpider | 10664.0 |
CONTENTS
