6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylquinoline
Formula:C25H20N3O2ClF2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylquinoline is a drug-like molecule.
| MolName | 6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylquinoline |
| MolecularFormula | C25H20N3O2ClF2S |
| Smiles | O=S(c(cc1)ccc1F)(c1cnc(ccc(Cl)c2)c2c1N(CC1)CCN1c(cc1)ccc1F)=O |
| InChI | InChI=1S/C25H20ClF2N3O2S/c26-17-1-10-23-22(15-17)25(24(16-29-23)34(32,33)21-8-4-19(28)5-9-21)31-13-11-30(12-14-31)20-6-2-18(27)3-7-20/h1-10,15-16H,11-14H2 |
| InChIK | MLMPDUJWFZKKDU-UHFFFAOYSA-N |
| TotalMolweight | 499.968 |
| Molweight | 499.968 |
| MonoisotopicMass | 499.09328 |
| CLogP | 4.762 |
| CLogS | -6.672 |
| H Acceptors | 5 |
| TotalSurfaceArea | 344.98 |
| Relative PSA | 0.13523 |
| PolarSurfaceArea | 61.89 |
| Druglikeness | 1.9385 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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