4-[(E)-2-(4-chlorophenyl)ethenyl]thiadiazole
Formula:C10H7N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(4-chlorophenyl)ethenyl]thiadiazole is a drug-like molecule.
| MolName | 4-[(E)-2-(4-chlorophenyl)ethenyl]thiadiazole |
| MolecularFormula | C10H7N2ClS |
| Smiles | Clc1ccc(/C=C/c2csnn2)cc1 |
| InChI | InChI=1S/C10H7ClN2S/c11-9-4-1-8(2-5-9)3-6-10-7-14-13-12-10/h1-7H |
| InChIK | YTTTUEKQGQUFAJ-UHFFFAOYSA-N |
| TotalMolweight | 222.699 |
| Molweight | 222.699 |
| MonoisotopicMass | 222.001845 |
| CLogP | 3.4574 |
| CLogS | -4.149 |
| H Acceptors | 2 |
| TotalSurfaceArea | 168.4 |
| Relative PSA | 0.25119 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | -4.0342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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