| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1976) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CE01 |
| UNII: | C8I4BVN78E |
Structure
| InChI Key | JMBQKKAJIKAWKF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.27 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.17 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Pharmacology
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-21-4 |
| ChEBI | 5439 |
| ChEMBL | CHEMBL1102 |
| DrugBank | DB01437 |
| DrugCentral | 1313 |
| EPA CompTox | DTXSID1023102 |
| FDA SRS | C8I4BVN78E |
| Human Metabolome Database | HMDB0015505 |
| Guide to Pharmacology | 7192 |
| KEGG | C07489 |
| PharmGKB | PA164749505 |
| PubChem | 3487 |
| SureChEMBL | SCHEMBL113708 |
CONTENTS