4-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]morpholine
Formula:C19H16N2O3ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]morpholine is a drug-like molecule.
| MolName | 4-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]morpholine |
| MolecularFormula | C19H16N2O3ClFS |
| Smiles | O=S(c(cc1)ccc1Cl)(c(cnc(c1c2)ccc2F)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H16ClFN2O3S/c20-13-1-4-15(5-2-13)27(24,25)18-12-22-17-6-3-14(21)11-16(17)19(18)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2 |
| InChIK | UHKAFBKAMPSADX-UHFFFAOYSA-N |
| TotalMolweight | 406.864 |
| Molweight | 406.864 |
| MonoisotopicMass | 406.055418 |
| CLogP | 3.0566 |
| CLogS | -5.011 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.19062 |
| PolarSurfaceArea | 67.88 |
| Druglikeness | 0.29943 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]morpholine | 2 - 4-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]morpholine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off