(3-phenoxyphenyl) (E)-2-phenylethenesulfonate
Formula:C20H16O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-phenoxyphenyl) (E)-2-phenylethenesulfonate is a drug-like molecule.
| MolName | (3-phenoxyphenyl) (E)-2-phenylethenesulfonate |
| MolecularFormula | C20H16O4S |
| Smiles | O=S(/C=C/c1ccccc1)(Oc1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H16O4S/c21-25(22,15-14-17-8-3-1-4-9-17)24-20-13-7-12-19(16-20)23-18-10-5-2-6-11-18/h1-16H |
| InChIK | KWXFJGCVGIFLQY-UHFFFAOYSA-N |
| TotalMolweight | 352.409 |
| Molweight | 352.409 |
| MonoisotopicMass | 352.07693 |
| CLogP | 4.46 |
| CLogS | -6.117 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.86 |
| Relative PSA | 0.18136 |
| PolarSurfaceArea | 60.98 |
| Druglikeness | -2.4243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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