2,6-diphenyl-4-[(E)-2-thiophen-2-ylethenyl]pyrylium
Formula:C23H17OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-diphenyl-4-[(E)-2-thiophen-2-ylethenyl]pyrylium is not a drug-like molecule.
| MolName | 2,6-diphenyl-4-[(E)-2-thiophen-2-ylethenyl]pyrylium |
| MolecularFormula | C23H17OS |
| Smiles | C(c1cccs1)=C/c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1 |
| InChI | InChI=1S/C23H17OS/c1-3-8-19(9-4-1)22-16-18(13-14-21-12-7-15-25-21)17-23(24-22)20-10-5-2-6-11-20/h1-17H/q+1 |
| InChIK | MEVDTSXYZLWFGZ-UHFFFAOYSA-N |
| TotalMolweight | 341.453 |
| Molweight | 341.453 |
| MonoisotopicMass | 341.10001 |
| CLogP | 5.8734 |
| CLogS | -7.157 |
| H Acceptors | 1 |
| TotalSurfaceArea | 262.77 |
| Relative PSA | 0.077482 |
| PolarSurfaceArea | 28.24 |
| Druglikeness | -2.6416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 10 |
| StereoCon |
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