2-[(E)-2-[1-(1-phenylethenyl)pyridin-1-ium-4-yl]ethenyl]phenol
Formula:C21H18NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[1-(1-phenylethenyl)pyridin-1-ium-4-yl]ethenyl]phenol is a drug-like molecule.
| MolName | 2-[(E)-2-[1-(1-phenylethenyl)pyridin-1-ium-4-yl]ethenyl]phenol |
| MolecularFormula | C21H18NO |
| Smiles | C=C(c1ccccc1)[n+]1ccc(/C=C/c(cccc2)c2O)cc1 |
| InChI | InChI=1S/C21H17NO/c1-17(19-7-3-2-4-8-19)22-15-13-18(14-16-22)11-12-20-9-5-6-10-21(20)23/h2-16H,1H2/p+1 |
| InChIK | VEJASOVVJQXRJK-UHFFFAOYSA-O |
| TotalMolweight | 300.38 |
| Molweight | 300.38 |
| MonoisotopicMass | 300.138839 |
| CLogP | 0.849 |
| CLogS | -5.046 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 245.68 |
| Relative PSA | 0.064556 |
| PolarSurfaceArea | 24.11 |
| Druglikeness | -4.6142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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