| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D10AX02 |
| UNII: | YUL4LO94HK |
Structure
| InChI Key | GHMLBKRAJCXXBS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.11 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 40.46 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 27810 |
| ChEMBL | CHEMBL24147 |
| DrugBank | DB11085 |
| DrugCentral | 3524 |
| EPA CompTox | DTXSID2021238 |
| FDA SRS | YUL4LO94HK |
| Human Metabolome Database | HMDB32037 |
| KEGG | C01751 |
| PDB | RCO |
| PubChem | 5054 |
| SureChEMBL | SCHEMBL15515 |
| ZINC | ZINC000000002028 |
CONTENTS