| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2009) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | P03AX06 |
| UNII: | LKG8494WBH |
Structure
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O |
| Molecular Weight | 108.14 |
| AlogP | 1.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Indications
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 100-51-6 |
| ChEBI | 17987 |
| ChEMBL | CHEMBL720 |
| DrugBank | DB06770 |
| DrugCentral | 334 |
| EPA CompTox | DTXSID5020152 |
| FDA SRS | LKG8494WBH |
| Human Metabolome Database | HMDB0003119 |
| KEGG | C03485 |
| PDB | 010 |
| PubChem | 244 |
| SureChEMBL | SCHEMBL147 |
| ZINC | ZINC000000895302 |
CONTENTS