| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TSJ72034P9 |
| EPA CompTox | DTXSID50210273 |
Structure
| InChI Key | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7N1O1 |
| Molecular Weight | 145.05 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6136-68-1 |
| NORMAN SUSDAT | |
| FDA SRS | TSJ72034P9 |
| PubChem | 80222 |
| ChemSpider | 72466.0 |
CONTENTS
