1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
Formula:C16H18N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium is a drug-like molecule.
| MolName | 1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium |
| MolecularFormula | C16H18N |
| Smiles | CC[n+]1c(/C=C/c2ccc(C)cc2)cccc1 |
| InChI | InChI=1S/C16H18N/c1-3-17-13-5-4-6-16(17)12-11-15-9-7-14(2)8-10-15/h4-13H,3H2,1-2H3/q+1 |
| InChIK | IGEMHQJCHFIMCD-UHFFFAOYSA-N |
| TotalMolweight | 224.326 |
| Molweight | 224.326 |
| MonoisotopicMass | 224.143924 |
| CLogP | -0.404 |
| CLogS | -2.993 |
| H Acceptors | 1 |
| TotalSurfaceArea | 195.1 |
| Relative PSA | 0.014147 |
| PolarSurfaceArea | 3.88 |
| Druglikeness | -2.2242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium | 2 - 1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off