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

Formula:C22H14N2O2ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-N-benzyl-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(Z)-N-benzyl-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C22H14N2O2ClF3
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C22H14ClF3N2O2/c23-19-8-6-16(22(24,25)26)11-18(19)20-9-7-17(30-20)10-15(12-27)21(29)28-13-14-4-2-1-3-5-14/h1-11H,13H2,(H,28,29)
InChIK	RZJQORVHOUCGFJ-UHFFFAOYSA-N
TotalMolweight	430.812
Molweight	430.812
MonoisotopicMass	430.069589
CLogP	5.0909
CLogS	-6.56
H Acceptors	4
H Donors	1
TotalSurfaceArea	316.74
Relative PSA	0.16471
PolarSurfaceArea	66.03
Druglikeness	-7.4767
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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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