phenyl-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methanone
Formula:C20H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methanone is a drug-like molecule.
| MolName | phenyl-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methanone |
| MolecularFormula | C20H15NO |
| Smiles | O=C(c1ccccc1)c1ccc(/C=C/c2ncccc2)cc1 |
| InChI | InChI=1S/C20H15NO/c22-20(17-6-2-1-3-7-17)18-12-9-16(10-13-18)11-14-19-8-4-5-15-21-19/h1-15H |
| InChIK | OYKNHNPHGVVHLV-UHFFFAOYSA-N |
| TotalMolweight | 285.345 |
| Molweight | 285.345 |
| MonoisotopicMass | 285.115364 |
| CLogP | 4.0497 |
| CLogS | -5.081 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.79 |
| Relative PSA | 0.10183 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -0.61248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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