| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W4YR69TDU4 |
| EPA CompTox | DTXSID70212855 |
Structure
| InChI Key | QUUNMPSDKIURJD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8O2 |
| Molecular Weight | 196.05 |
| AlogP | 2.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6344-60-1 |
| NORMAN SUSDAT | |
| FDA SRS | W4YR69TDU4 |
| PubChem | 80663 |
| ChemSpider | 72848.0 |
CONTENTS
