[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate
Formula:C19H12O4Cl2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate is not a drug-like molecule.
| MolName | [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate |
| MolecularFormula | C19H12O4Cl2S2 |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1OS(c(cc(cc1)Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C19H12Cl2O4S2/c20-14-5-9-17(21)19(12-14)27(23,24)25-15-6-3-13(4-7-15)18(22)10-8-16-2-1-11-26-16/h1-12H |
| InChIK | ARKMGMHJSPBTRC-UHFFFAOYSA-N |
| TotalMolweight | 439.338 |
| Molweight | 439.338 |
| MonoisotopicMass | 437.955404 |
| CLogP | 5.2613 |
| CLogS | -6.096 |
| H Acceptors | 4 |
| TotalSurfaceArea | 302.39 |
| Relative PSA | 0.23804 |
| PolarSurfaceArea | 97.06 |
| Druglikeness | 3.2032 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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