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

Formula:C18H12N2O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N,N'-bis[2-(trifluoromethyl)phenyl]but-2-enediamide is a drug-like molecule.

MolName	(E)-N,N'-bis[2-(trifluoromethyl)phenyl]but-2-enediamide
MolecularFormula	C18H12N2O2F6
Smiles	O=C(/C=C/C(Nc1c(C(F)(F)F)cccc1)=O)Nc1c(C(F)(F)F)cccc1
InChI	InChI=1S/C18H12F6N2O2/c19-17(20,21)11-5-1-3-7-13(11)25-15(27)9-10-16(28)26-14-8-4-2-6-12(14)18(22,23)24/h1-10H,(H,25,27)(H,26,28)
InChIK	AEDCPYJPTHWACR-UHFFFAOYSA-N
TotalMolweight	402.293
Molweight	402.293
MonoisotopicMass	402.080296
CLogP	4.1026
CLogS	-4.8
H Acceptors	4
H Donors	2
TotalSurfaceArea	276.86
Relative PSA	0.17698
PolarSurfaceArea	58.2
Druglikeness	-7.497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	16
Amides	2
StereoCon

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