| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | C05BB05 D08AE03 N01BX03 R02AA19 |
| UNII | 339NCG44TV |
| EPA CompTox | DTXSID5021124 |
Structure
| InChI Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O |
| Molecular Weight | 94.11 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 15882 |
| ChEMBL | CHEMBL14060 |
| DrugBank | DB03255 |
| DrugCentral | 4266 |
| FDA SRS | 339NCG44TV |
| Human Metabolome Database | HMDB0000228 |
| KEGG | C15584 |
| PDB | IPH |
| PharmGKB | PA450913 |
| PubChem | 996 |
| SureChEMBL | SCHEMBL48 |
| ZINC | ZINC000005133329 |
CONTENTS
