4-[(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]benzonitrile

Formula:C22H11NO2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]benzonitrile is not a drug-like molecule.

MolName	4-[(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]benzonitrile
MolecularFormula	C22H11NO2F6
Smiles	N#Cc(cc1)ccc1C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)=O
InChI	InChI=1S/C22H11F6NO2/c23-21(24,25)16-9-15(10-17(11-16)22(26,27)28)20-8-6-18(31-20)5-7-19(30)14-3-1-13(12-29)2-4-14/h1-11H
InChIK	LACWFJCSBMWSTK-UHFFFAOYSA-N
TotalMolweight	435.322
Molweight	435.322
MonoisotopicMass	435.069397
CLogP	5.7749
CLogS	-7.629
H Acceptors	3
TotalSurfaceArea	307.35
Relative PSA	0.13245
PolarSurfaceArea	54
Druglikeness	-9.5776
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	10
StereoCon

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