| Molecule Category | Free-form |
| UNII | SB18J2MCQL |
| EPA CompTox | DTXSID5047087 |
| 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 | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.17 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 606-45-1 |
| ChEMBL | CHEMBL2252121 |
| FDA SRS | SB18J2MCQL |
| PubChem | 61151 |
| SureChEMBL | SCHEMBL196037 |
CONTENTS
