| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | X7EA1JUA6M |
Structure
| InChI Key | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.16 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.69 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 18353 |
| ChEMBL | CHEMBL4297450 |
| DrugBank | DB12087 |
| EPA CompTox | DTXSID20198074 |
| FDA SRS | X7EA1JUA6M |
| Human Metabolome Database | HMDB0032012 |
| KEGG | C06317 |
| SureChEMBL | SCHEMBL62348 |
| ZINC | ZINC000000164388 |
CONTENTS