2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]quinoline
Formula:C21H13NOCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]quinoline |
| MolecularFormula | C21H13NOCl2 |
| Smiles | Clc(cccc1-c2ccc(/C=C/c3nc4ccccc4cc3)o2)c1Cl |
| InChI | InChI=1S/C21H13Cl2NO/c22-18-6-3-5-17(21(18)23)20-13-12-16(25-20)11-10-15-9-8-14-4-1-2-7-19(14)24-15/h1-13H |
| InChIK | GWYYORUZUOYPIK-UHFFFAOYSA-N |
| TotalMolweight | 366.246 |
| Molweight | 366.246 |
| MonoisotopicMass | 365.037418 |
| CLogP | 6.3875 |
| CLogS | -7.414 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.17 |
| Relative PSA | 0.091811 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | 0.73454 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]quinoline | 2 - 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]quinoline
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