| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 497A17OUUE |
| Parent Compound: | PEMIROLAST |
Structure
| InChI Key | NMMVKSMGBDRONO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7KN6O |
| Molecular Weight | 266.31 |
| AlogP | 0.18 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 88.83 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 17.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1201050 |
| EPA CompTox | DTXSID7046623 |
| FDA SRS | 497A17OUUE |
| PubChem | 443866 |
| SureChEMBL | SCHEMBL865789 |
CONTENTS