6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C11H8N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C11H8N4S |
| Smiles | C(c(s1)nn2c1nnc2)=C/c1ccccc1 |
| InChI | InChI=1S/C11H8N4S/c1-2-4-9(5-3-1)6-7-10-14-15-8-12-13-11(15)16-10/h1-8H |
| InChIK | SOIGPUYMCCVGOJ-UHFFFAOYSA-N |
| TotalMolweight | 228.279 |
| Molweight | 228.279 |
| MonoisotopicMass | 228.046966 |
| CLogP | 1.5563 |
| CLogS | -1.104 |
| H Acceptors | 4 |
| TotalSurfaceArea | 176.99 |
| Relative PSA | 0.3459 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | 3.6722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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