3-(4-chlorophenyl)sulfonyl-6-fluoro-4-(4-phenylpiperazin-1-yl)quinoline
Formula:C25H21N3O2ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)sulfonyl-6-fluoro-4-(4-phenylpiperazin-1-yl)quinoline is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-(4-phenylpiperazin-1-yl)quinoline |
| MolecularFormula | C25H21N3O2ClFS |
| Smiles | O=S(c(cc1)ccc1Cl)(c(cnc(c1c2)ccc2F)c1N(CC1)CCN1c1ccccc1)=O |
| InChI | InChI=1S/C25H21ClFN3O2S/c26-18-6-9-21(10-7-18)33(31,32)24-17-28-23-11-8-19(27)16-22(23)25(24)30-14-12-29(13-15-30)20-4-2-1-3-5-20/h1-11,16-17H,12-15H2 |
| InChIK | TXKIZMTWLDXRDX-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 | 5.0833 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| 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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