3-(4-chlorophenyl)sulfonyl-6-fluoro-4-pyrrolidin-1-ylquinoline
Formula:C19H16N2O2ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)sulfonyl-6-fluoro-4-pyrrolidin-1-ylquinoline is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-pyrrolidin-1-ylquinoline |
| MolecularFormula | C19H16N2O2ClFS |
| Smiles | O=S(c(cc1)ccc1Cl)(c(cnc(c1c2)ccc2F)c1N1CCCC1)=O |
| InChI | InChI=1S/C19H16ClFN2O2S/c20-13-3-6-15(7-4-13)26(24,25)18-12-22-17-8-5-14(21)11-16(17)19(18)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10H2 |
| InChIK | MFPHYUPFXQMMAR-UHFFFAOYSA-N |
| TotalMolweight | 390.865 |
| Molweight | 390.865 |
| MonoisotopicMass | 390.060503 |
| CLogP | 3.8786 |
| CLogS | -5.63 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.57 |
| Relative PSA | 0.16048 |
| PolarSurfaceArea | 58.65 |
| Druglikeness | 0.93538 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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