| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2ZI2173196 |
| EPA CompTox | DTXSID3028005 |
| InChI Key | MRLGCTNJRREZHZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.07 |
| AlogP | 3.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39515-51-0 |
| NORMAN SUSDAT | |
| FDA SRS | 2ZI2173196 |
| PubChem | 38284 |
| ChemSpider | 35088.0 |