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

Formula:C23H14O3BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C23H14O3BrCl
Smiles	O=C(/C=C/c1ccc(-c(cc2)ccc2Br)o1)c1ccc(-c2cc(Cl)ccc2)o1
InChI	InChI=1S/C23H14BrClO3/c24-17-6-4-15(5-7-17)21-11-9-19(27-21)8-10-20(26)23-13-12-22(28-23)16-2-1-3-18(25)14-16/h1-14H
InChIK	PAKYONINSIOJHL-UHFFFAOYSA-N
TotalMolweight	453.718
Molweight	453.718
MonoisotopicMass	451.981483
CLogP	6.5128
CLogS	-8.33
H Acceptors	3
TotalSurfaceArea	310.22
Relative PSA	0.133
PolarSurfaceArea	43.35
Druglikeness	0.32969
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
StereoCon

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