bis[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] (E)-but-2-enedioate

Formula:C22H16N2O8F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] (E)-but-2-enedioate
MolecularFormula	C22H16N2O8F6
Smiles	O=C(COC(/C=C/C(OCC(Nc(cc1)ccc1OC(F)(F)F)=O)=O)=O)Nc(cc1)ccc1OC(F)(F)F
InChI	InChI=1S/C22H16F6N2O8/c23-21(24,25)37-15-5-1-13(2-6-15)29-17(31)11-35-19(33)9-10-20(34)36-12-18(32)30-14-3-7-16(8-4-14)38-22(26,27)28/h1-10H,11-12H2,(H,29,31)(H,30,32)
InChIK	YZGDEWCAHKUPHQ-UHFFFAOYSA-N
TotalMolweight	550.363
Molweight	550.363
MonoisotopicMass	550.081086
CLogP	3.7198
CLogS	-5.096
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.88
Relative PSA	0.30294
PolarSurfaceArea	129.26
Druglikeness	-11.526
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	38
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	14
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	23
Amides	2
StereoCon

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