| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6066947 |
Structure
| InChI Key | BVYPJEBKDLFIDL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.1 |
| AlogP | 2.46 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 41.61 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23996-12-5 |
| NORMAN SUSDAT | |
| PubChem | 90325 |
| ChemSpider | 81546.0 |
CONTENTS
