6-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C12H7N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C12H7N4F3S |
| Smiles | FC(c1nnc2sc(/C=C/c3ccccc3)nn12)(F)F |
| InChI | InChI=1S/C12H7F3N4S/c13-12(14,15)10-16-17-11-19(10)18-9(20-11)7-6-8-4-2-1-3-5-8/h1-7H |
| InChIK | RYRQWENDTVUFBH-UHFFFAOYSA-N |
| TotalMolweight | 296.276 |
| Molweight | 296.276 |
| MonoisotopicMass | 296.03435 |
| CLogP | 2.2941 |
| CLogS | -1.166 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.45 |
| Relative PSA | 0.29654 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | -10.245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 6-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 6-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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