| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7B1AVU9DJN |
Structure
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.14 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.19 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 134761 |
| ChEMBL | CHEMBL379845 |
| DrugBank | DB13882 |
| DrugCentral | 3355 |
| EPA CompTox | DTXSID7044471 |
| FDA SRS | 7B1AVU9DJN |
| Human Metabolome Database | HMDB0029806 |
| PubChem | 7151 |
| SureChEMBL | SCHEMBL24566 |
| ZINC | ZINC000000001706 |
CONTENTS