| Synonyms | |
| Molecule Category | Free-form |
| UNII | X5081510EV |
| 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 | YHQDZJICGQWFHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.16 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 71.28 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56-57-5 |
| ChEMBL | CHEMBL127655 |
| FDA SRS | X5081510EV |
| PDB | YHX |
| PubChem | 5955 |
| SureChEMBL | SCHEMBL105454 |
| ZINC | ZINC01529664 |
CONTENTS
