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C6H5O5F3S [(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate | Chemryt

[(Z)-(2-oxooxolan-3-ylidene)methyl] trifluoromethanesulfonate

Molecular Formula : C6H5O5F3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

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