6-chloro-2-[(E)-2-phenylethenyl]quinoline
Formula:C17H12NCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-2-[(E)-2-phenylethenyl]quinoline is a drug-like molecule.
| MolName | 6-chloro-2-[(E)-2-phenylethenyl]quinoline |
| MolecularFormula | C17H12NCl |
| Smiles | Clc1cc2ccc(/C=C/c3ccccc3)nc2cc1 |
| InChI | InChI=1S/C17H12ClN/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-12H |
| InChIK | SHCUVDPXLDXGCP-UHFFFAOYSA-N |
| TotalMolweight | 265.742 |
| Molweight | 265.742 |
| MonoisotopicMass | 265.065826 |
| CLogP | 4.8426 |
| CLogS | -5.218 |
| H Acceptors | 1 |
| TotalSurfaceArea | 208.3 |
| Relative PSA | 0.052664 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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