Mol Weight - 228.267
Smiles - Cc(cc1)ccc1S(OC1COC1)(=O)=O
| Property Name | Property Value |
| Mol Name | Oxetan-3-yl4-methylbenzenesulfonate |
| Molweight | 228.267 |
| Monoisotopic Mass | 228.04563 |
| Clogp | 0.9216 |
| Clogs | -1.266 |
| H Acceptors | 4 |
| Total Surface Area | 160.62 |
| Relative Psa | 0.30245 |
| Polar Surface Area | 60.98 |
| Druglikeness | -15.791 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.58141 |
| Molecular Complexity | 0.61095 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 4 |
| Smiles | Cc(cc1)ccc1S(OC1COC1)(=O)=O |
| InChIKey | InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3 |
| InChI | UMFWNFVHKAJOSE-UHFFFAOYSA-N |
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1 — Oxetan-3-yl4-methylbenzenesulfonate | 2 — Oxetan-3-yl4-methylbenzenesulfonate