(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C21H14N3O4F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C21H14N3O4F3S
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc2cc(C(F)(F)F)ccc2)=O)\C#N)o1)(=O)=O
InChI	InChI=1S/C21H14F3N3O4S/c22-21(23,24)15-2-1-3-16(11-15)27-20(28)14(12-25)10-17-6-9-19(31-17)13-4-7-18(8-5-13)32(26,29)30/h1-11H,(H,27,28)(H2,26,29,30)
InChIK	OOSGLJCWHABRKO-UHFFFAOYSA-N
TotalMolweight	461.419
Molweight	461.419
MonoisotopicMass	461.065711
CLogP	3.5395
CLogS	-5.907
H Acceptors	7
H Donors	2
TotalSurfaceArea	324.66
Relative PSA	0.29576
PolarSurfaceArea	134.57
Druglikeness	-5.4379
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	5
Amides	2
StereoCon

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