| Molecule Category | Free-form |
| UNII | 2694Z07HQY |
| EPA CompTox | DTXSID2047060 |
| 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 | DPZNOMCNRMUKPS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.16 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 151-10-0 |
| ChEMBL | CHEMBL2252486 |
| FDA SRS | 2694Z07HQY |
| PubChem | 9025 |
| SureChEMBL | SCHEMBL9350 |
CONTENTS
