| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 0G3C18OH4D |
Structure
| InChI Key | NEDPPCHNEOMTJV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H16N2O6S3 |
| Molecular Weight | 404.49 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 132.8 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135651 |
| ChEMBL | CHEMBL1570 |
| DrugBank | DB01145 |
| DrugCentral | 2533 |
| EPA CompTox | DTXSID80162594 |
| FDA SRS | 0G3C18OH4D |
| Human Metabolome Database | HMDB0015276 |
| PharmGKB | PA164776911 |
| PubChem | 5351 |
| SureChEMBL | SCHEMBL155723 |
| ZINC | ZINC000018268128 |
CONTENTS