2,6-bis[(E)-2-phenylethenyl]pyridine
Formula:C21H17N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-bis[(E)-2-phenylethenyl]pyridine is not a drug-like molecule.
| MolName | 2,6-bis[(E)-2-phenylethenyl]pyridine |
| MolecularFormula | C21H17N |
| Smiles | C(c1ccccc1)=C/c1cccc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C21H17N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-17H |
| InChIK | GFUKPDBFDRKRRO-UHFFFAOYSA-N |
| TotalMolweight | 283.373 |
| Molweight | 283.373 |
| MonoisotopicMass | 283.136099 |
| CLogP | 5.1807 |
| CLogS | -5.141 |
| H Acceptors | 1 |
| TotalSurfaceArea | 244.54 |
| Relative PSA | 0.04486 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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