2-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]thiophene
Formula:C18H14S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]thiophene is not a drug-like molecule.
| MolName | 2-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]thiophene |
| MolecularFormula | C18H14S2 |
| Smiles | C(c1cccs1)=C/c1ccc(/C=C/c2cccs2)cc1 |
| InChI | InChI=1S/C18H14S2/c1-3-17(19-13-1)11-9-15-5-7-16(8-6-15)10-12-18-4-2-14-20-18/h1-14H |
| InChIK | DCEDTISGIDPBIP-UHFFFAOYSA-N |
| TotalMolweight | 294.441 |
| Molweight | 294.441 |
| MonoisotopicMass | 294.05369 |
| CLogP | 5.8068 |
| CLogS | -5.908 |
| TotalSurfaceArea | 237.66 |
| Relative PSA | 0.17134 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | 1.3784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 11 |
| StereoCon |
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