| Molecule Category | Free-form |
| 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 | KEVOFPICRVTBPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.2 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 67.59 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1369953 |
| PubChem | 667632 |
| SureChEMBL | SCHEMBL10333619 |
| ZINC | ZINC04625515 |
CONTENTS
