4-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]morpholine
Formula:C19H17N2O3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]morpholine is a drug-like molecule.
| MolName | 4-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]morpholine |
| MolecularFormula | C19H17N2O3FS |
| Smiles | O=S(c1ccccc1)(c(cnc(c1c2)ccc2F)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H17FN2O3S/c20-14-6-7-17-16(12-14)19(22-8-10-25-11-9-22)18(13-21-17)26(23,24)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2 |
| InChIK | BDIBKXCYFRAXJB-UHFFFAOYSA-N |
| TotalMolweight | 372.419 |
| Molweight | 372.419 |
| MonoisotopicMass | 372.094391 |
| CLogP | 2.4506 |
| CLogS | -4.275 |
| H Acceptors | 5 |
| TotalSurfaceArea | 263.15 |
| Relative PSA | 0.20179 |
| PolarSurfaceArea | 67.88 |
| Druglikeness | -8.6155 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42308 |
| 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 | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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