2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline
Formula:C24H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline |
| MolecularFormula | C24H19NO |
| Smiles | C(c1ccccc1)Oc1ccc(/C=C/c2nc3ccccc3cc2)cc1 |
| InChI | InChI=1S/C24H19NO/c1-2-6-20(7-3-1)18-26-23-16-11-19(12-17-23)10-14-22-15-13-21-8-4-5-9-24(21)25-22/h1-17H,18H2 |
| InChIK | MPLZFUFOMPPUJT-UHFFFAOYSA-N |
| TotalMolweight | 337.421 |
| Molweight | 337.421 |
| MonoisotopicMass | 337.146664 |
| CLogP | 5.5847 |
| CLogS | -5.823 |
| H Acceptors | 2 |
| TotalSurfaceArea | 276.4 |
| Relative PSA | 0.075868 |
| PolarSurfaceArea | 22.12 |
| Druglikeness | -1.6678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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