2-chloro-4-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
Formula:C17H11N2O2Cl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
2-chloro-4-[(E)-2-(4-nitrophenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-chloro-4-[(E)-2-(4-nitrophenyl)ethenyl]quinoline |
| MolecularFormula | C17H11N2O2Cl |
| Smiles | [O-][N+](c1ccc(/C=C/c2cc(Cl)nc3ccccc23)cc1)=O |
| InChI | InChI=1S/C17H11ClN2O2/c18-17-11-13(15-3-1-2-4-16(15)19-17)8-5-12-6-9-14(10-7-12)20(21)22/h1-11H |
| InChIK | DDUGFFWJZCZPAV-UHFFFAOYSA-N |
| TotalMolweight | 310.739 |
| Molweight | 310.739 |
| MonoisotopicMass | 310.050905 |
| CLogP | 3.9644 |
| CLogS | -5.417 |
| H Acceptors | 4 |
| TotalSurfaceArea | 231.97 |
| Relative PSA | 0.17843 |
| PolarSurfaceArea | 58.71 |
| Druglikeness | -6.4989 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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