| Molecule Category | Free-form |
| UNII | 69JX3AIR1I |
| 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 | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O |
| Molecular Weight | 98.14 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2228570 |
| FDA SRS | 69JX3AIR1I |
| PubChem | 5281168 |
| SureChEMBL | SCHEMBL29822 |
| ZINC | ZINC01531148 |
CONTENTS
