(E)-1-(2,4-dichlorophenyl)-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one

Formula:C20H11O3Cl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(2,4-dichlorophenyl)-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(2,4-dichlorophenyl)-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
MolecularFormula	C20H11O3Cl2F3
Smiles	O=C(/C=C/c1ccc(-c(cccc2)c2OC(F)(F)F)o1)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C20H11Cl2F3O3/c21-12-5-8-14(16(22)11-12)17(26)9-6-13-7-10-18(27-13)15-3-1-2-4-19(15)28-20(23,24)25/h1-11H
InChIK	IBWSRCOYZSVQDB-UHFFFAOYSA-N
TotalMolweight	427.204
Molweight	427.204
MonoisotopicMass	426.003733
CLogP	6.5537
CLogS	-7.795
H Acceptors	3
TotalSurfaceArea	297.02
Relative PSA	0.12508
PolarSurfaceArea	39.44
Druglikeness	-6.177
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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