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