(E)-1,1,1-trifluoro-4-[4-[4-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]phenyl]sulfonylanilino]but-3-en-2-one

Formula:C20H14N2O4F6S Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-1,1,1-trifluoro-4-[4-[4-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]phenyl]sulfonylanilino]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-[4-[4-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]phenyl]sulfonylanilino]but-3-en-2-one
MolecularFormula	C20H14N2O4F6S
Smiles	O=C(C(F)(F)F)/C=C/Nc(cc1)ccc1S(c(cc1)ccc1N/C=C/C(C(F)(F)F)=O)(=O)=O
InChI	InChI=1S/C20H14F6N2O4S/c21-19(22,23)17(29)9-11-27-13-1-5-15(6-2-13)33(31,32)16-7-3-14(4-8-16)28-12-10-18(30)20(24,25)26/h1-12,27-28H
InChIK	XOTLYGVABVABCV-UHFFFAOYSA-N
TotalMolweight	492.395
Molweight	492.395
MonoisotopicMass	492.057846
CLogP	2.6588
CLogS	-6.184
H Acceptors	6
H Donors	2
TotalSurfaceArea	331.94
Relative PSA	0.23372
PolarSurfaceArea	100.72
Druglikeness	-31.669
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	20
StereoCon

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1 - (E)-1,1,1-trifluoro-4-[4-[4-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]phenyl]sulfonylanilino]but-3-en-2-one | 2 - (E)-1,1,1-trifluoro-4-[4-[4-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]phenyl]sulfonylanilino]but-3-en-2-one

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