| Molecule Category | Free-form |
| UNII | I14TWN70LR |
| EPA CompTox | DTXSID2060042 |
| 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 | SSPYSWLZOPCOLO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.07 |
| AlogP | -0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 70.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 461-89-2 |
| ChEMBL | CHEMBL2260276 |
| FDA SRS | I14TWN70LR |
| PubChem | 68037 |
| SureChEMBL | SCHEMBL88056 |
| ZINC | ZINC18130792 |
CONTENTS
