2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline
Formula:C19H13NS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline |
| MolecularFormula | C19H13NS2 |
| Smiles | C(c1ccc(-c2cccs2)s1)=C/c1nc2ccccc2cc1 |
| InChI | InChI=1S/C19H13NS2/c1-2-5-17-14(4-1)7-8-15(20-17)9-10-16-11-12-19(22-16)18-6-3-13-21-18/h1-13H |
| InChIK | FCGGCRLVSCCFGD-UHFFFAOYSA-N |
| TotalMolweight | 319.451 |
| Molweight | 319.451 |
| MonoisotopicMass | 319.048939 |
| CLogP | 6.025 |
| CLogS | -6.52 |
| H Acceptors | 1 |
| TotalSurfaceArea | 244.52 |
| Relative PSA | 0.21139 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 1.8464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline | 2 - 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline
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