| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 72Y4RH8QTA |
| EPA CompTox | DTXSID001028584 |
| InChI Key | VMSMELHEXDVEDE-HWKANZROSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8NO3 |
| Molecular Weight | 177.04 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 66894-06-2 |
| NORMAN SUSDAT | |
| FDA SRS | 72Y4RH8QTA |
| PubChem | 5367122 |