2-[(E)-2-(4-azidophenyl)ethenyl]quinoline
Formula:C17H12N4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(E)-2-(4-azidophenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(4-azidophenyl)ethenyl]quinoline |
| MolecularFormula | C17H12N4 |
| Smiles | [N-]=[N+]=Nc1ccc(/C=C/c2nc3ccccc3cc2)cc1 |
| InChI | InChI=1S/C17H12N4/c18-21-20-16-10-6-13(7-11-16)5-9-15-12-8-14-3-1-2-4-17(14)19-15/h1-12H |
| InChIK | MZMUOCLTEXYMTB-UHFFFAOYSA-N |
| TotalMolweight | 272.31 |
| Molweight | 272.31 |
| MonoisotopicMass | 272.106196 |
| CLogP | 4.5079 |
| CLogS | -5.185 |
| H Acceptors | 4 |
| TotalSurfaceArea | 223.52 |
| Relative PSA | 0.21636 |
| PolarSurfaceArea | 38.85 |
| Druglikeness | -3.0875 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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