4-[(E)-2-phenylethenyl]thiadiazole
Formula:C10H8N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]thiadiazole is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]thiadiazole |
| MolecularFormula | C10H8N2S |
| Smiles | C(c1csnn1)=C/c1ccccc1 |
| InChI | InChI=1S/C10H8N2S/c1-2-4-9(5-3-1)6-7-10-8-13-12-11-10/h1-8H |
| InChIK | LLWUWMROYZSXNO-UHFFFAOYSA-N |
| TotalMolweight | 188.254 |
| Molweight | 188.254 |
| MonoisotopicMass | 188.040818 |
| CLogP | 2.8514 |
| CLogS | -3.413 |
| H Acceptors | 2 |
| TotalSurfaceArea | 152.98 |
| Relative PSA | 0.27651 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | -4.1075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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