| Synonyms | |
| Molecule Category | Free-form |
| UNII | RQX0CMD9PN |
| EPA CompTox | DTXSID50239863 |
| 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 | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.14 |
| AlogP | 1.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 939-19-5 |
| ChEMBL | CHEMBL150372 |
| FDA SRS | RQX0CMD9PN |
| PDB | SE2 |
| PubChem | 13650 |
| SureChEMBL | SCHEMBL76090 |
CONTENTS
