| Molecule Category | Free-form |
| UNII | C42E28168L |
| 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 | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O |
| Molecular Weight | 72.11 |
| AlogP | 0.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1404017 |
| FDA SRS | C42E28168L |
| PubChem | 6561 |
| SureChEMBL | SCHEMBL2996 |
| ZINC | ZINC01866952 |
CONTENTS
