(E)-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiol

Formula:C4H2F6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiol is a drug-like molecule.

MolName	(E)-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiol
MolecularFormula	C4H2F6S2
Smiles	FC(/C(/S)=C(/C(F)(F)F)\S)(F)F
InChI	InChI=1S/C4H2F6S2/c5-3(6,7)1(11)2(12)4(8,9)10/h11-12H
InChIK	YCCBSPLDIBAXHH-UHFFFAOYSA-N
TotalMolweight	228.18
Molweight	228.18
MonoisotopicMass	227.950208
CLogP	2.9326
CLogS	-4.67
TotalSurfaceArea	127.06
Relative PSA	0.35589
PolarSurfaceArea	77.6
Druglikeness	-12.216
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	12
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Sp3Atoms	4
Symmetricatoms	8
StereoCon

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