Chemical Name - Vinyl Sulphone
Mol Weight - 118.156
Smiles - C=CS(C=C)(=O)=O
Mol Weight - 118.156
Smiles - C=CS(C=C)(=O)=O
| Property Value | |
| Mol Name | Vinyl Sulphone |
| Molweight | 118.156 |
| Monoisotopic Mass | 118.00885 |
| Clogp | -0.2989 |
| Clogs | -1.26 |
| H Acceptors | 2 |
| Total Surface Area | 91.16 |
| Relative Psa | 0.31351 |
| Polar Surface Area | 42.52 |
| Druglikeness | -3.9131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.5829 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 3 |
| Smiles | C=CS(C=C)(=O)=O |
| InChIKey | InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2 |
| InChI | AFOSIXZFDONLBT-UHFFFAOYSA-N |
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1 - Vinyl Sulphone
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