| Molecule Category | Free-form |
| UNII | W6Y3DDU3ZP |
| 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 | OMONCKYJLBVWOQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.19 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17600-72-5 |
| ChEMBL | CHEMBL2252472 |
| FDA SRS | W6Y3DDU3ZP |
| PubChem | 87170 |
| SureChEMBL | SCHEMBL194473 |
CONTENTS
