(Z,E)-3-phenyl-N-pyridin-1-ium-1-ylprop-2-en-1-imine
Formula:C14H13N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-3-phenyl-N-pyridin-1-ium-1-ylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-3-phenyl-N-pyridin-1-ium-1-ylprop-2-en-1-imine |
| MolecularFormula | C14H13N2 |
| Smiles | C(/C=N\[n+]1ccccc1)=C/c1ccccc1 |
| InChI | InChI=1S/C14H13N2/c1-3-8-14(9-4-1)10-7-11-15-16-12-5-2-6-13-16/h1-13H/q+1 |
| InChIK | XWLZBJJCQLXFBR-UHFFFAOYSA-N |
| TotalMolweight | 209.271 |
| Molweight | 209.271 |
| MonoisotopicMass | 209.107873 |
| CLogP | 1.356 |
| CLogS | -4.857 |
| H Acceptors | 2 |
| TotalSurfaceArea | 181.58 |
| Relative PSA | 0.078588 |
| PolarSurfaceArea | 16.24 |
| Druglikeness | -0.7775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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