| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MN6T93UGE8 |
| EPA CompTox | DTXSID3061265 |
Structure
| InChI Key | XOOFLVNFEPIPIW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10O3 |
| Molecular Weight | 214.06 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.35 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 886-77-1 |
| NORMAN SUSDAT | |
| FDA SRS | MN6T93UGE8 |
| PubChem | 13453 |
| ChemSpider | 1064905.0 |
CONTENTS
