2-(benzenesulfonyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]quinoxaline
Formula:C22H15N2O2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(benzenesulfonyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]quinoxaline is a drug-like molecule.
| MolName | 2-(benzenesulfonyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]quinoxaline |
| MolecularFormula | C22H15N2O2FS |
| Smiles | O=S(c1ccccc1)(c1nc2ccccc2nc1/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C22H15FN2O2S/c23-17-13-10-16(11-14-17)12-15-21-22(25-20-9-5-4-8-19(20)24-21)28(26,27)18-6-2-1-3-7-18/h1-15H |
| InChIK | PXKKYHWCTPRLRG-UHFFFAOYSA-N |
| TotalMolweight | 390.437 |
| Molweight | 390.437 |
| MonoisotopicMass | 390.083826 |
| CLogP | 4.2616 |
| CLogS | -5.195 |
| H Acceptors | 4 |
| TotalSurfaceArea | 286.33 |
| Relative PSA | 0.17644 |
| PolarSurfaceArea | 68.3 |
| Druglikeness | -9.9443 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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