| Synonyms | |
| Molecule Category | Free-form |
| UNII | SM2XD6V944 |
| 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 | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.14 |
| AlogP | 1.42 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 66.76 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL244743 |
| FDA SRS | SM2XD6V944 |
| PDB | HFC |
| PubChem | 5281416 |
| SureChEMBL | SCHEMBL24641 |
| ZINC | ZINC00057908 |
CONTENTS
