2-[(E)-2-(2,3-dichlorophenyl)ethenyl]quinoline
Formula:C17H11NCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]quinoline |
| MolecularFormula | C17H11NCl2 |
| Smiles | Clc(cccc1/C=C/c2nc3ccccc3cc2)c1Cl |
| InChI | InChI=1S/C17H11Cl2N/c18-15-6-3-5-13(17(15)19)9-11-14-10-8-12-4-1-2-7-16(12)20-14/h1-11H |
| InChIK | LCTSCSJOLKORGN-UHFFFAOYSA-N |
| TotalMolweight | 300.187 |
| Molweight | 300.187 |
| MonoisotopicMass | 299.026853 |
| CLogP | 5.4486 |
| CLogS | -5.954 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.72 |
| Relative PSA | 0.049035 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]quinoline | 2 - 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]quinoline
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