| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 005MIM19QV |
Structure
| InChI Key | JTIDKHDQCMBOEG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12N4O1 |
| Molecular Weight | 240.1 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 62.78 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77197-48-9 |
| NORMAN SUSDAT | |
| FDA SRS | 005MIM19QV |
CONTENTS
