4-[(E)-2-pyridin-4-ylethenyl]benzonitrile
Formula:C14H10N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-pyridin-4-ylethenyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(E)-2-pyridin-4-ylethenyl]benzonitrile |
| MolecularFormula | C14H10N2 |
| Smiles | N#Cc1ccc(/C=C/c2ccncc2)cc1 |
| InChI | InChI=1S/C14H10N2/c15-11-14-5-3-12(4-6-14)1-2-13-7-9-16-10-8-13/h1-10H |
| InChIK | SUCOKTGSBOUQAZ-UHFFFAOYSA-N |
| TotalMolweight | 206.247 |
| Molweight | 206.247 |
| MonoisotopicMass | 206.084398 |
| CLogP | 2.7013 |
| CLogS | -3.73 |
| H Acceptors | 2 |
| TotalSurfaceArea | 179.99 |
| Relative PSA | 0.13629 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.7069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-2-pyridin-4-ylethenyl]benzonitrile | 2 - 4-[(E)-2-pyridin-4-ylethenyl]benzonitrile
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