| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | M44O63YPV9 |
Structure
| InChI Key | BQJODPIMMWWMFC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.27 |
| AlogP | 1.88 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 49.77 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 92675 |
| ChEMBL | CHEMBL1229908 |
| DrugBank | DB08989 |
| DrugCentral | 1074 |
| EPA CompTox | DTXSID3023007 |
| FDA SRS | M44O63YPV9 |
| PDB | 2DL |
| PubChem | 9363 |
| SureChEMBL | SCHEMBL119823 |
| ZINC | ZINC000000000266 |
CONTENTS