| Molecule Category | Free-form |
| UNII | F1Q54ONN4H |
| 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 | ZQEIXNIJLIKNTD-GFCCVEGCSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.33 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 55.84 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1905521 |
| FDA SRS | F1Q54ONN4H |
| PubChem | 11150163 |
| SureChEMBL | SCHEMBL22529 |
| ZINC | ZINC01532071 |
CONTENTS
