| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XML26X6K54 |
| EPA CompTox | DTXSID10203020 |
Structure
| InChI Key | OBRYRJYZWVLVLF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O1 |
| Molecular Weight | 148.09 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5459-40-5 |
| NORMAN SUSDAT | |
| FDA SRS | XML26X6K54 |
| PubChem | 79570 |
| ChemSpider | 71878.0 |
CONTENTS
