| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P64438MLBW |
| EPA CompTox | DTXSID50231509 |
Structure
| InChI Key | NZVQLVGOZRELTG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10O4 |
| Molecular Weight | 230.06 |
| AlogP | 2.86 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 52.58 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-57-5 |
| NORMAN SUSDAT | |
| FDA SRS | P64438MLBW |
| PubChem | 6716 |
| ChemSpider | 6460.0 |
CONTENTS
