| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JKB257U27V |
| EPA CompTox | DTXSID20211237 |
Structure
| InChI Key | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O2 |
| Molecular Weight | 137.05 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.31 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-46-8 |
| NORMAN SUSDAT | |
| FDA SRS | JKB257U27V |
| PubChem | 69322 |
| ChemSpider | 62532.0 |
CONTENTS
