| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 52936SIP7V |
Structure
| InChI Key | DNVVZWSVACQWJE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.24 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.55 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 17.0 |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 133-11-9 |
| ChEBI | 114203 |
| ChEMBL | CHEMBL1200868 |
| DrugBank | DB06807 |
| DrugCentral | 2143 |
| EPA CompTox | DTXSID7021994 |
| FDA SRS | 52936SIP7V |
| PubChem | 8609 |
| SureChEMBL | SCHEMBL194250 |
| ZINC | ZINC000000119905 |
CONTENTS