1-oxido-4-[(E)-2-phenylethenyl]pyridin-1-ium
Formula:C13H11NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-oxido-4-[(E)-2-phenylethenyl]pyridin-1-ium is a drug-like molecule.
| MolName | 1-oxido-4-[(E)-2-phenylethenyl]pyridin-1-ium |
| MolecularFormula | C13H11NO |
| Smiles | [O-][n+]1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C13H11NO/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H |
| InChIK | PRRGAMKJYDZXJH-UHFFFAOYSA-N |
| TotalMolweight | 197.236 |
| Molweight | 197.236 |
| MonoisotopicMass | 197.084064 |
| CLogP | 2.3902 |
| CLogS | -5.341 |
| H Acceptors | 2 |
| TotalSurfaceArea | 161.57 |
| Relative PSA | 0.088259 |
| PolarSurfaceArea | 25.46 |
| Druglikeness | -3.2025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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