1-[(E)-1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium
Formula:C19H15N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium is a drug-like molecule.
| MolName | 1-[(E)-1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium |
| MolecularFormula | C19H15N2O2 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/[n+]1ccccc1)=C\c1ccccc1)=O |
| InChI | InChI=1S/C19H15N2O2/c22-21(23)18-11-9-17(10-12-18)19(20-13-5-2-6-14-20)15-16-7-3-1-4-8-16/h1-15H/q+1 |
| InChIK | GYOGMNSFVTXCRD-UHFFFAOYSA-N |
| TotalMolweight | 303.34 |
| Molweight | 303.34 |
| MonoisotopicMass | 303.113353 |
| CLogP | -0.4298 |
| CLogS | -4.997 |
| H Acceptors | 4 |
| TotalSurfaceArea | 238.46 |
| Relative PSA | 0.13914 |
| PolarSurfaceArea | 49.7 |
| Druglikeness | -6.4342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-[(E)-1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium | 2 - 1-[(E)-1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium
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