| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 452KD9YCG7 |
| EPA CompTox | DTXSID5022140 |
Structure
| InChI Key | JVZRCNQLWOELDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9N1 |
| Molecular Weight | 155.07 |
| AlogP | 2.75 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 939-23-1 |
| NORMAN SUSDAT | |
| FDA SRS | 452KD9YCG7 |
| PubChem | 13651 |
| ChemSpider | 13062.0 |
CONTENTS
