[(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate
Formula:C6H5O5F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate is a drug-like molecule.
| MolName | [(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate |
| MolecularFormula | C6H5O5F3S |
| Smiles | O=C1OCC/C1=C/OS(C(F)(F)F)(=O)=O |
| InChI | InChI=1S/C6H5F3O5S/c7-6(8,9)15(11,12)14-3-4-1-2-13-5(4)10/h3H,1-2H2 |
| InChIK | LPOHLMKTTAUPOZ-UHFFFAOYSA-N |
| TotalMolweight | 246.161 |
| Molweight | 246.161 |
| MonoisotopicMass | 245.980979 |
| CLogP | 1.2747 |
| CLogS | -2.027 |
| H Acceptors | 5 |
| TotalSurfaceArea | 148.02 |
| Relative PSA | 0.4163 |
| PolarSurfaceArea | 78.05 |
| Druglikeness | -33.803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | alkyl sulfonate/sulfate type |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate | 2 - [(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate
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