| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LFU129OE9H |
| EPA CompTox | DTXSID1020722 |
| InChI Key | BTLXPCBPYBNQNR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8O3 |
| Molecular Weight | 224.05 |
| AlogP | 2.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 129-43-1 |
| NORMAN SUSDAT | |
| FDA SRS | LFU129OE9H |
| PubChem | 8512 |
| ChemSpider | 8198.0 |