| Synonyms | |
| Molecule Category | Free-form |
| UNII | U7L4P6H0SU |
| 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 | DGQOCLATAPFASR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4O6 |
| Molecular Weight | 172.09 |
| AlogP | -1.46 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Polar Surface Area | 115.06 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1329029 |
| FDA SRS | U7L4P6H0SU |
| PubChem | 5424 |
| SureChEMBL | SCHEMBL167587 |
CONTENTS
