| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K665Q5LZ3J |
| EPA CompTox | DTXSID30186063 |
Structure
| InChI Key | NIUHGYUFFPSEOW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.05 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3233-36-1 |
| NORMAN SUSDAT | |
| FDA SRS | K665Q5LZ3J |
| PubChem | 76709 |
| ChemSpider | 69167.0 |
CONTENTS
