Chemical Name - 1,4 Dioxane
Mol Weight - 88.1055
Smiles - C1OCCOC1
Mol Weight - 88.1055
Smiles - C1OCCOC1
| Property Value | |
| Mol Name | 1,4 Dioxane |
| Molweight | 88.1055 |
| Monoisotopic Mass | 88.05243 |
| Clogp | -0.276 |
| Clogs | -0.372 |
| H Acceptors | 2 |
| Total Surface Area | 75.04 |
| Relative Psa | 0.26652 |
| Polar Surface Area | 18.46 |
| Druglikeness | -13.655 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.26035 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 4 |
| Smiles | C1OCCOC1 |
| InChIKey | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
| InChI | RYHBNJHYFVUHQT-UHFFFAOYSA-N |
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1 - 1,4 Dioxane
2 - 1,4 Dioxane
1 - 1,4 Dioxane
2 - 1,4 Dioxane
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