| MolName | 4-[(2R)-2-(4-hydroxyphenoxy)-2-sulfanylethoxy]phenol |
| MolecularFormula | C14H14O4S |
| Smiles | Oc(cc1)ccc1OC[C@H](Oc(cc1)ccc1O)S |
| InChI | InChI=1S/C14H14O4S/c15-10-1-5-12(6-2-10)17-9-14(19)18-13-7-3-11(16)4-8-13/h1-8,14-16,19H,9H2/t14-/m1/s1 |
| InChIK | ZEDDKYPUKGEUOJ-CQSZACIVSA-N |
| TotalMolweight | 278.327 |
| Molweight | 278.327 |
| MonoisotopicMass | 278.06128 |
| CLogP | 2.3218 |
| CLogS | -3.087 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.84 |
| Relative PSA | 0.33107 |
| PolarSurfaceArea | 97.72 |
| Druglikeness | -5.3049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - 4-[(2R)-2-(4-hydroxyphenoxy)-2-sulfanylethoxy]phenol | 2 - 4-[(2R)-2-(4-hydroxyphenoxy)-2-sulfanylethoxy]phenol