4-[(E)-2-quinolin-4-ylethenyl]quinoline
Formula:C20H14N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-quinolin-4-ylethenyl]quinoline is a drug-like molecule.
| MolName | 4-[(E)-2-quinolin-4-ylethenyl]quinoline |
| MolecularFormula | C20H14N2 |
| Smiles | C(c1ccnc2ccccc12)=C/c1ccnc2ccccc12 |
| InChI | InChI=1S/C20H14N2/c1-3-7-19-17(5-1)15(11-13-21-19)9-10-16-12-14-22-20-8-4-2-6-18(16)20/h1-14H |
| InChIK | CZRZWBZZWIQLOK-UHFFFAOYSA-N |
| TotalMolweight | 282.345 |
| Molweight | 282.345 |
| MonoisotopicMass | 282.115698 |
| CLogP | 4.4986 |
| CLogS | -5.164 |
| H Acceptors | 2 |
| TotalSurfaceArea | 226.24 |
| Relative PSA | 0.096977 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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