Chemical Name - Di Ethyl Sulphate
Mol Weight - 154.185
Smiles - CCOS(OCC)(=O)=O
Mol Weight - 154.185
Smiles - CCOS(OCC)(=O)=O
| Property Value | |
| Mol Name | Di Ethyl Sulphate |
| Molweight | 154.185 |
| Monoisotopic Mass | 154.02998 |
| Clogp | 0.2817 |
| Clogs | -0.186 |
| H Acceptors | 4 |
| Total Surface Area | 114.12 |
| Relative Psa | 0.42569 |
| Polar Surface Area | 60.98 |
| Druglikeness | -7.4469 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.56717 |
| Molecular Complexity | 0.51986 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 4 |
| Smiles | CCOS(OCC)(=O)=O |
| InChIKey | InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3 |
| InChI | DENRZWYUOJLTMF-UHFFFAOYSA-N |
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