(E)-1-(4-bromophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

Formula:C20H11O2BrClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(4-bromophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
MolecularFormula	C20H11O2BrClF3
Smiles	O=C(/C=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)c(cc1)ccc1Br
InChI	InChI=1S/C20H11BrClF3O2/c21-14-4-1-12(2-5-14)18(26)9-6-15-7-10-19(27-15)16-11-13(20(23,24)25)3-8-17(16)22/h1-11H
InChIK	FKMCABLVCOQMMU-UHFFFAOYSA-N
TotalMolweight	455.656
Molweight	455.656
MonoisotopicMass	453.958302
CLogP	6.4222
CLogS	-7.648
H Acceptors	2
TotalSurfaceArea	290.23
Relative PSA	0.093546
PolarSurfaceArea	30.21
Druglikeness	-7.157
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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