3-(benzenesulfonyl)-6-chloro-4-piperidin-1-ylquinoline
Formula:C20H19N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-6-chloro-4-piperidin-1-ylquinoline is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-6-chloro-4-piperidin-1-ylquinoline |
| MolecularFormula | C20H19N2O2ClS |
| Smiles | O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N1CCCCC1)=O |
| InChI | InChI=1S/C20H19ClN2O2S/c21-15-9-10-18-17(13-15)20(23-11-5-2-6-12-23)19(14-22-18)26(24,25)16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12H2 |
| InChIK | HIUXMDXJXVGHAM-UHFFFAOYSA-N |
| TotalMolweight | 386.902 |
| Molweight | 386.902 |
| MonoisotopicMass | 386.085575 |
| CLogP | 4.1198 |
| CLogS | -5.586 |
| H Acceptors | 4 |
| TotalSurfaceArea | 275.98 |
| Relative PSA | 0.15617 |
| PolarSurfaceArea | 58.65 |
| Druglikeness | -7.5746 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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