(4-chlorophenyl) (E)-2-phenylethenesulfonate
Formula:C14H11O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (E)-2-phenylethenesulfonate is a drug-like molecule.
| MolName | (4-chlorophenyl) (E)-2-phenylethenesulfonate |
| MolecularFormula | C14H11O3ClS |
| Smiles | O=S(/C=C/c1ccccc1)(Oc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H11ClO3S/c15-13-6-8-14(9-7-13)18-19(16,17)11-10-12-4-2-1-3-5-12/h1-11H |
| InChIK | FQRUUQMOZDJJJY-UHFFFAOYSA-N |
| TotalMolweight | 294.757 |
| Molweight | 294.757 |
| MonoisotopicMass | 294.011742 |
| CLogP | 3.6704 |
| CLogS | -4.556 |
| H Acceptors | 3 |
| TotalSurfaceArea | 213.52 |
| Relative PSA | 0.18069 |
| PolarSurfaceArea | 51.75 |
| Druglikeness | -1.3903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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