4-[(E)-2-pyridin-3-ylethenyl]quinoline
Formula:C16H12N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-pyridin-3-ylethenyl]quinoline is a drug-like molecule.
| MolName | 4-[(E)-2-pyridin-3-ylethenyl]quinoline |
| MolecularFormula | C16H12N2 |
| Smiles | C(c1cnccc1)=C/c1ccnc2ccccc12 |
| InChI | InChI=1S/C16H12N2/c1-2-6-16-15(5-1)14(9-11-18-16)8-7-13-4-3-10-17-12-13/h1-12H |
| InChIK | YWFGPIWOFHMULO-UHFFFAOYSA-N |
| TotalMolweight | 232.285 |
| Molweight | 232.285 |
| MonoisotopicMass | 232.100048 |
| CLogP | 3.1817 |
| CLogS | -3.663 |
| H Acceptors | 2 |
| TotalSurfaceArea | 191.64 |
| Relative PSA | 0.11449 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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