| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3049673 |
Structure
| InChI Key | JCAYXDKNUSEQRT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H8B1N1O3 |
| Molecular Weight | 105.06 |
| AlogP | -2.07 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 75.71 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68130-12-1 |
| NORMAN SUSDAT | |
| PubChem | 82594 |
| ChemSpider | 74536.0 |
CONTENTS
