5-bromo-2-[(E)-2-phenylethenyl]quinoline
Formula:C17H12NBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-2-[(E)-2-phenylethenyl]quinoline is a drug-like molecule.
| MolName | 5-bromo-2-[(E)-2-phenylethenyl]quinoline |
| MolecularFormula | C17H12NBr |
| Smiles | Brc1cccc2nc(/C=C/c3ccccc3)ccc12 |
| InChI | InChI=1S/C17H12BrN/c18-16-7-4-8-17-15(16)12-11-14(19-17)10-9-13-5-2-1-3-6-13/h1-12H |
| InChIK | HTIQKTRJUNMVAX-UHFFFAOYSA-N |
| TotalMolweight | 310.193 |
| Molweight | 310.193 |
| MonoisotopicMass | 309.01531 |
| CLogP | 4.9618 |
| CLogS | -5.316 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.51 |
| Relative PSA | 0.051865 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -3.2169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| 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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