[(E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-1,2-diphenylethenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Formula:C22H10O6F18S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-1,2-diphenylethenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is not a drug-like molecule.

MolName	[(E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-1,2-diphenylethenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
MolecularFormula	C22H10O6F18S2
Smiles	O=S(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(O/C(/c1ccccc1)=C(\c1ccccc1)/OS(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)=O
InChI	InChI=1S/C22H10F18O6S2/c23-15(24,19(31,32)33)17(27,28)21(37,38)47(41,42)45-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)46-48(43,44)22(39,40)18(29,30)16(25,26)20(34,35)36/h1-10H
InChIK	TWADHZDYKGSGAG-UHFFFAOYSA-N
TotalMolweight	776.411
Molweight	776.411
MonoisotopicMass	775.963134
CLogP	8.6784
CLogS	-10.338
H Acceptors	6
TotalSurfaceArea	430.68
Relative PSA	0.17916
PolarSurfaceArea	103.5
Druglikeness	-109.7
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	alkyl sulfonate/sulfate type
Shape Index	0.33333
Fragments	1
Non HAtoms	48
NonCHAtoms	26
Electronegative Atoms	26
Rotatable Bond	14
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	32
StereoCon

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1 - [(E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-1,2-diphenylethenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | 2 - [(E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)-1,2-diphenylethenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

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