| Synonyms | |
| Molecule Category | Free-form |
| UNII | 76845O8NMZ |
| EPA CompTox | DTXSID1022001 |
| 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 | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.11 |
| AlogP | 0.37 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 141-78-6 |
| ChEMBL | CHEMBL14152 |
| FDA SRS | 76845O8NMZ |
| PDB | EEE |
| PubChem | 8857 |
| SureChEMBL | SCHEMBL155 |
| ZINC | ZINC00895412 |
CONTENTS
