[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzenesulfonate
Formula:C19H13O4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzenesulfonate is a drug-like molecule.
| MolName | [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzenesulfonate |
| MolecularFormula | C19H13O4FS2 |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O |
| InChI | InChI=1S/C19H13FO4S2/c20-15-5-10-18(11-6-15)26(22,23)24-16-7-3-14(4-8-16)19(21)12-9-17-2-1-13-25-17/h1-13H |
| InChIK | VERBIJOBKZCTTR-UHFFFAOYSA-N |
| TotalMolweight | 388.438 |
| Molweight | 388.438 |
| MonoisotopicMass | 388.023928 |
| CLogP | 4.1501 |
| CLogS | -4.938 |
| H Acceptors | 4 |
| TotalSurfaceArea | 277.9 |
| Relative PSA | 0.25901 |
| PolarSurfaceArea | 97.06 |
| Druglikeness | 0.40041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzenesulfonate | 2 - [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-fluorobenzenesulfonate
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