| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6074887 |
| InChI Key | VXWBQOJISHAKKM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7B1O3 |
| Molecular Weight | 150.05 |
| AlogP | -0.82 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 87199-17-5 |
| NORMAN SUSDAT | |
| PubChem | 591073 |
| ChemSpider | 513834.0 |