6,8-dibromo-2-(4-methoxyphenyl)quinoline
Formula:C16H11NOBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6,8-dibromo-2-(4-methoxyphenyl)quinoline is not a drug-like molecule.
| MolName | 6,8-dibromo-2-(4-methoxyphenyl)quinoline |
| MolecularFormula | C16H11NOBr2 |
| Smiles | COc(cc1)ccc1-c1ccc(cc(cc2Br)Br)c2n1 |
| InChI | InChI=1S/C16H11Br2NO/c1-20-13-5-2-10(3-6-13)15-7-4-11-8-12(17)9-14(18)16(11)19-15/h2-9H,1H3 |
| InChIK | HUHJPPGMNPVPGR-UHFFFAOYSA-N |
| TotalMolweight | 393.077 |
| Molweight | 393.077 |
| MonoisotopicMass | 390.920736 |
| CLogP | 5.1062 |
| CLogS | -5.786 |
| H Acceptors | 2 |
| TotalSurfaceArea | 225.9 |
| Relative PSA | 0.092829 |
| PolarSurfaceArea | 22.12 |
| Druglikeness | -3.4405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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