6-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
Formula:C14H6NO2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is a drug-like molecule.
| MolName | 6-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate |
| MolecularFormula | C14H6NO2BrClS |
| Smiles | [O-]C(c1c(cc(cc2)Br)c2nc(-c(s2)ccc2Cl)c1)=O |
| InChI | InChI=1S/C14H7BrClNO2S/c15-7-1-2-10-8(5-7)9(14(18)19)6-11(17-10)12-3-4-13(16)20-12/h1-6H,(H,18,19)/p-1 |
| InChIK | UUSNZCPBAVADHD-UHFFFAOYSA-M |
| TotalMolweight | 367.63 |
| Molweight | 367.63 |
| MonoisotopicMass | 365.899112 |
| CLogP | 2.6943 |
| CLogS | -5.621 |
| H Acceptors | 3 |
| TotalSurfaceArea | 221.65 |
| Relative PSA | 0.26461 |
| PolarSurfaceArea | 81.26 |
| Druglikeness | -0.56401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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