(Z)-N-benzyl-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide

Formula:C22H15N2O2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-N-benzyl-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
MolecularFormula	C22H15N2O2F3
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChI	InChI=1S/C22H15F3N2O2/c23-22(24,25)18-8-4-7-16(11-18)20-10-9-19(29-20)12-17(13-26)21(28)27-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,27,28)
InChIK	MGEXDBJLCHUCBR-UHFFFAOYSA-N
TotalMolweight	396.367
Molweight	396.367
MonoisotopicMass	396.108562
CLogP	4.4849
CLogS	-5.824
H Acceptors	4
H Donors	1
TotalSurfaceArea	301.32
Relative PSA	0.17314
PolarSurfaceArea	66.03
Druglikeness	-7.5348
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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