| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40159889 |
Structure
| InChI Key | RYGIHSLRMNXWCN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7N1O1 |
| Molecular Weight | 157.05 |
| AlogP | 2.05 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13669-42-6 |
| NORMAN SUSDAT | |
| PubChem | 83641 |
| ChemSpider | 75465.0 |
CONTENTS
