(E)-N,N'-bis[3,5-bis(trifluoromethyl)phenyl]but-2-enediamide

Formula:C20H10N2O2F12 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N,N'-bis[3,5-bis(trifluoromethyl)phenyl]but-2-enediamide is not a drug-like molecule.

MolName	(E)-N,N'-bis[3,5-bis(trifluoromethyl)phenyl]but-2-enediamide
MolecularFormula	C20H10N2O2F12
Smiles	O=C(/C=C/C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C20H10F12N2O2/c21-17(22,23)9-3-10(18(24,25)26)6-13(5-9)33-15(35)1-2-16(36)34-14-7-11(19(27,28)29)4-12(8-14)20(30,31)32/h1-8H,(H,33,35)(H,34,36)
InChIK	NDHKTZXMXMXSDD-UHFFFAOYSA-N
TotalMolweight	538.287
Molweight	538.287
MonoisotopicMass	538.055064
CLogP	5.7992
CLogS	-6.356
H Acceptors	4
H Donors	2
TotalSurfaceArea	335.78
Relative PSA	0.14593
PolarSurfaceArea	58.2
Druglikeness	-7.497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	26
Amides	2
StereoCon

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