2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-5-nitrofuran
Formula:C18H12NO5FS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-5-nitrofuran is a drug-like molecule.
| MolName | 2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-5-nitrofuran |
| MolecularFormula | C18H12NO5FS |
| Smiles | [O-][N+](c1ccc(/C(/S(c2ccccc2)(=O)=O)=C\c(cc2)ccc2F)o1)=O |
| InChI | InChI=1S/C18H12FNO5S/c19-14-8-6-13(7-9-14)12-17(16-10-11-18(25-16)20(21)22)26(23,24)15-4-2-1-3-5-15/h1-12H |
| InChIK | OOGFHEVYRLDFOY-UHFFFAOYSA-N |
| TotalMolweight | 373.359 |
| Molweight | 373.359 |
| MonoisotopicMass | 373.042022 |
| CLogP | 2.8167 |
| CLogS | -4.762 |
| H Acceptors | 6 |
| TotalSurfaceArea | 265.78 |
| Relative PSA | 0.27508 |
| PolarSurfaceArea | 101.48 |
| Druglikeness | -12.098 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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