| Synonyms | |
| Molecule Category | Free-form |
| UNII | 091S1F8V5Q |
| 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 | MXTLAHSTUOXGQF-UHFFFAOYSA-O |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H20NO4 |
| Molecular Weight | 338.38 |
| AlogP | 3.94 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 51.8 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL251055 |
| FDA SRS | 091S1F8V5Q |
| PubChem | 72323 |
| SureChEMBL | SCHEMBL564128 |
| ZINC | ZINC00338122 |
CONTENTS
