| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FV54WL55MW |
| EPA CompTox | DTXSID20202246 |
Structure
| InChI Key | LEBQTCCCNMTXSF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1 |
| Molecular Weight | 136.09 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53957-33-8 |
| NORMAN SUSDAT | |
| FDA SRS | FV54WL55MW |
| PubChem | 94560 |
| ChemSpider | 85332.0 |
CONTENTS
