Chemical Name - Sucralose
Mol Weight - 397.634
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)Cl)O[C@@H]1O[C@@](CCl)([C@H]1O)O[C@H](CCl)[C@H]1O
Mol Weight - 397.634
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)Cl)O[C@@H]1O[C@@](CCl)([C@H]1O)O[C@H](CCl)[C@H]1O
| Property Value | |
| Mol Name | Sucralose |
| Molweight | 397.634 |
| Monoisotopic Mass | 396.014551 |
| Clogp | -1.1611 |
| Clogs | -1.86 |
| H Acceptors | 8 |
| H Donors | 5 |
| Total Surface Area | 246.2 |
| Relative Psa | 0.3879 |
| Polar Surface Area | 128.84 |
| Druglikeness | -6.7168 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.47826 |
| Molecular Flexibility | 0.44786 |
| Molecular Complexity | 0.88723 |
| Fragments | 1 |
| Non H Atoms | 23 |
| Non Ch Atoms | 11 |
| Electronegative Atoms | 11 |
| Stereo Centers | 9 |
| Rotatable Bonds | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3 Atoms | 20 |
| Smiles | OC[C@H]([C@@H]([C@@H]([C@H]1O)O)Cl)O[C@@H]1O[C@@](CCl)([C@H]1O)O[C@H](CCl)[C@H]1O |
| InChIKey | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-/m0/s1 |
| InChI | BAQAVOSOZGMPRM-VKHJVCDSSA-N |
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1 - Sucralose
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