| Molecule Category | Free-form |
| UNII | 6L41AOK74P |
| 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 | QUKGLNCXGVWCJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H3N3S |
| Molecular Weight | 101.13 |
| AlogP | -0.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 80.03 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4005-51-0 |
| ChEMBL | CHEMBL1650237 |
| FDA SRS | 6L41AOK74P |
| PubChem | 19909 |
| SureChEMBL | SCHEMBL26211 |
| ZINC | ZINC17744119 |
CONTENTS
