| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 952VN06WBB |
Structure
| InChI Key | ZWJINEZUASEZBH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.24 |
| AlogP | 3.13 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 34756 |
| ChEMBL | CHEMBL23832 |
| EPA CompTox | DTXSID6059025 |
| FDA SRS | 952VN06WBB |
| Guide to Pharmacology | 4182 |
| KEGG | C13697 |
| PDB | EHO |
| PubChem | 4386 |
| SureChEMBL | SCHEMBL25828 |
| ZINC | ZINC000000154642 |
CONTENTS