Chemical Name - 1,3,5-Trioxane
Mol Weight - 90.0776
Smiles - C1OCOCO1
Mol Weight - 90.0776
Smiles - C1OCOCO1
| Property Value | |
| Mol Name | 1,3,5-Trioxane |
| Molweight | 90.0776 |
| Monoisotopic Mass | 90.031695 |
| Clogp | -0.0162 |
| Clogs | -1.88 |
| H Acceptors | 3 |
| Total Surface Area | 71.28 |
| Relative Psa | 0.42088 |
| Polar Surface Area | 27.69 |
| Druglikeness | -2.3127 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28661 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 4 |
| Smiles | C1OCOCO1 |
| InChIKey | InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2 |
| InChI | BGJSXRVXTHVRSN-UHFFFAOYSA-N |
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1 - 1,3,5-Trioxane
2 - 1,3,5-Trioxane
1 - 1,3,5-Trioxane
2 - 1,3,5-Trioxane
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