2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]quinoline
Formula:C19H13NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]quinoline |
| MolecularFormula | C19H13NS |
| Smiles | C(c1cc(cccc2)c2s1)=C/c1nc2ccccc2cc1 |
| InChI | InChI=1S/C19H13NS/c1-3-7-18-14(5-1)9-10-16(20-18)11-12-17-13-15-6-2-4-8-19(15)21-17/h1-13H |
| InChIK | BSCKHKVUCAFICJ-UHFFFAOYSA-N |
| TotalMolweight | 287.385 |
| Molweight | 287.385 |
| MonoisotopicMass | 287.076869 |
| CLogP | 5.1578 |
| CLogS | -5.831 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.42 |
| Relative PSA | 0.14023 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.78646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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