| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S6E4ZX5JSS |
| EPA CompTox | DTXSID2022464 |
Structure
| InChI Key | QVLMUEOXQBUPAH-VOTSOKGWSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12O1 |
| Molecular Weight | 196.09 |
| AlogP | 3.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6554-98-9 |
| NORMAN SUSDAT | |
| FDA SRS | S6E4ZX5JSS |
| PubChem | 5284650 |
| ChemSpider | 83924.0 |
CONTENTS
