3-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C17H11N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C17H11N4ClS |
| Smiles | Clc(cc1)ccc1-c1nnc2sc(/C=C/c3ccccc3)nn12 |
| InChI | InChI=1S/C17H11ClN4S/c18-14-9-7-13(8-10-14)16-19-20-17-22(16)21-15(23-17)11-6-12-4-2-1-3-5-12/h1-11H |
| InChIK | GMVDMBXXYVZJNA-UHFFFAOYSA-N |
| TotalMolweight | 338.821 |
| Molweight | 338.821 |
| MonoisotopicMass | 338.039293 |
| CLogP | 3.8053 |
| CLogS | -3.985 |
| H Acceptors | 4 |
| TotalSurfaceArea | 252.17 |
| Relative PSA | 0.24277 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | 3.4908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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