2-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]quinoline
Formula:C23H19N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]quinoline |
| MolecularFormula | C23H19N |
| Smiles | C(/C=C/C=C/c1nc2ccccc2cc1)=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H19N/c1(3-6-12-20-13-7-5-8-14-20)2-4-9-16-22-19-18-21-15-10-11-17-23(21)24-22/h1-19H |
| InChIK | VEOJJIMOCNUSEZ-UHFFFAOYSA-N |
| TotalMolweight | 309.411 |
| Molweight | 309.411 |
| MonoisotopicMass | 309.151749 |
| CLogP | 6.2064 |
| CLogS | -5.418 |
| H Acceptors | 1 |
| TotalSurfaceArea | 272.38 |
| Relative PSA | 0.040275 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -0.75083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]quinoline | 2 - 2-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]quinoline
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