| Molecule Category | Free-form |
| UNII | T8O6J71T9O |
| EPA CompTox | DTXSID7062906 |
| 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 | HLPIHRDZBHXTFJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8O |
| Molecular Weight | 96.13 |
| AlogP | 1.75 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 13.14 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3208-16-0 |
| ChEMBL | CHEMBL2269084 |
| FDA SRS | T8O6J71T9O |
CONTENTS
