| Synonyms | |
| Molecule Category | Free-form |
| UNII | 8Y734M4V9E |
| 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 | NRXQIUSYPAHGNM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3I2NO |
| Molecular Weight | 370.91 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 44.02 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL509523 |
| FDA SRS | 8Y734M4V9E |
| PubChem | 15530 |
| SureChEMBL | SCHEMBL39616 |
| ZINC | ZINC04262023 |
CONTENTS
