3-(4-chlorophenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline
Formula:C25H21N3O2ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline |
| MolecularFormula | C25H21N3O2ClFS |
| Smiles | O=S(c(cc1)ccc1Cl)(c(cnc1ccccc11)c1N(CC1)CCN1c(cc1)ccc1F)=O |
| InChI | InChI=1S/C25H21ClFN3O2S/c26-18-5-11-21(12-6-18)33(31,32)24-17-28-23-4-2-1-3-22(23)25(24)30-15-13-29(14-16-30)20-9-7-19(27)8-10-20/h1-12,17H,13-16H2 |
| InChIK | HPYSONHXEPJTIW-UHFFFAOYSA-N |
| TotalMolweight | 481.978 |
| Molweight | 481.978 |
| MonoisotopicMass | 481.102702 |
| CLogP | 4.6612 |
| CLogS | -6.358 |
| H Acceptors | 5 |
| TotalSurfaceArea | 338.63 |
| Relative PSA | 0.13776 |
| PolarSurfaceArea | 61.89 |
| Druglikeness | 3.2566 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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