| Synonyms | |
| Molecule Category | Free-form |
| UNII | 5MF6VX27BO |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | CHXSDKWBSFDZEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22O8 |
| Molecular Weight | 402.39 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 81.68 |
| Heavy Atoms | 29.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL225698 |
| FDA SRS | 5MF6VX27BO |
| PubChem | 386331 |
| SureChEMBL | SCHEMBL987569 |
| ZINC | ZINC01647160 |
CONTENTS
