3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]quinoline
Formula:C25H22N3O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]quinoline |
| MolecularFormula | C25H22N3O2ClS |
| Smiles | O=S(c1ccccc1)(c(cnc1ccccc11)c1N(CC1)CCN1c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C25H22ClN3O2S/c26-19-7-6-8-20(17-19)28-13-15-29(16-14-28)25-22-11-4-5-12-23(22)27-18-24(25)32(30,31)21-9-2-1-3-10-21/h1-12,17-18H,13-16H2 |
| InChIK | ZKQNPIIWQZRJKH-UHFFFAOYSA-N |
| TotalMolweight | 463.988 |
| Molweight | 463.988 |
| MonoisotopicMass | 463.112124 |
| CLogP | 4.5604 |
| CLogS | -6.044 |
| H Acceptors | 5 |
| TotalSurfaceArea | 332.28 |
| Relative PSA | 0.14039 |
| PolarSurfaceArea | 61.89 |
| Druglikeness | -3.1974 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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