| Synonyms | |
| Molecule Category | Free-form |
| UNII | K4WBE45SCM |
| EPA CompTox | DTXSID6051435 |
| 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 | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.12 |
| AlogP | 0.44 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 600-14-6 |
| ChEMBL | CHEMBL192809 |
| FDA SRS | K4WBE45SCM |
| PubChem | 11747 |
| SureChEMBL | SCHEMBL106990 |
| ZINC | ZINC01683666 |
CONTENTS
