2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrylium
Formula:C25H19O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrylium is not a drug-like molecule.
| MolName | 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrylium |
| MolecularFormula | C25H19O |
| Smiles | C(c1ccccc1)=C/c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1 |
| InChI | InChI=1S/C25H19O/c1-4-10-20(11-5-1)16-17-24-18-23(21-12-6-2-7-13-21)19-25(26-24)22-14-8-3-9-15-22/h1-19H/q+1 |
| InChIK | LHFMNJSQFWFXCQ-UHFFFAOYSA-N |
| TotalMolweight | 335.425 |
| Molweight | 335.425 |
| MonoisotopicMass | 335.14359 |
| CLogP | 5.9698 |
| CLogS | -7.479 |
| H Acceptors | 1 |
| TotalSurfaceArea | 266.83 |
| Druglikeness | -5.7424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| StereoCon |
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