| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80602581 |
| InChI Key | TWKMYNQPIICYNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8B1N1O2 |
| Molecular Weight | 137.06 |
| AlogP | -0.93 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.35 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 899436-71-6 |
| NORMAN SUSDAT | |
| PubChem | 20111647 |
| ChemSpider | 77188.0 |