2-[(E)-2-thiophen-2-ylethenyl]benzonitrile
Formula:C13H9NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]benzonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]benzonitrile |
| MolecularFormula | C13H9NS |
| Smiles | N#Cc1c(/C=C/c2cccs2)cccc1 |
| InChI | InChI=1S/C13H9NS/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-9H |
| InChIK | VKJWREZZWFYHCU-UHFFFAOYSA-N |
| TotalMolweight | 211.287 |
| Molweight | 211.287 |
| MonoisotopicMass | 211.045569 |
| CLogP | 3.5688 |
| CLogS | -4.535 |
| H Acceptors | 1 |
| TotalSurfaceArea | 177.17 |
| Relative PSA | 0.19145 |
| PolarSurfaceArea | 52.03 |
| Druglikeness | -2.765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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1 - 2-[(E)-2-thiophen-2-ylethenyl]benzonitrile | 2 - 2-[(E)-2-thiophen-2-ylethenyl]benzonitrile
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