| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2H6KVC5E76 |
| EPA CompTox | DTXSID00242362 |
Structure
| InChI Key | OQJFBUOFGHPMSR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H11N5O |
| Molecular Weight | 301.1 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 73.04 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 96604-21-6 |
| NORMAN SUSDAT | |
| FDA SRS | 2H6KVC5E76 |
| PubChem | 216456 |
CONTENTS
