| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | HIE492ZZ3T |
Structure
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.17 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.46 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 64275 |
| ChEMBL | CHEMBL1229846 |
| DrugBank | DB11304 |
| DrugCentral | 3442 |
| EPA CompTox | DTXSID9021976 |
| FDA SRS | HIE492ZZ3T |
| Human Metabolome Database | HMDB0041607 |
| PDB | 268 |
| PubChem | 31236 |
| SureChEMBL | SCHEMBL15708 |
| ZINC | ZINC000001577061 |
CONTENTS