1,2,4-triphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium
Formula:C31H24N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,2,4-triphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium is not a drug-like molecule.
| MolName | 1,2,4-triphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium |
| MolecularFormula | C31H24N |
| Smiles | C(c1ccccc1)=C/c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 |
| InChI | InChI=1S/C31H24N/c1-5-13-25(14-6-1)21-22-30-23-28(26-15-7-2-8-16-26)24-31(27-17-9-3-10-18-27)32(30)29-19-11-4-12-20-29/h1-24H/q+1 |
| InChIK | IQBGUMZLYNRFBU-UHFFFAOYSA-N |
| TotalMolweight | 410.539 |
| Molweight | 410.539 |
| MonoisotopicMass | 410.190874 |
| CLogP | 6.9904 |
| CLogS | -10.134 |
| H Acceptors | 1 |
| TotalSurfaceArea | 336.1 |
| Relative PSA | 0.0082118 |
| PolarSurfaceArea | 3.88 |
| Druglikeness | -2.1683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1,2,4-triphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium | 2 - 1,2,4-triphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium
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