(2Z)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one

Formula:C18H10O3Br2 Mutagenic:low Tumorigenic:none Reproductive Effective:low (2Z)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one is a drug-like molecule.

MolName	(2Z)-4-bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one
MolecularFormula	C18H10O3Br2
Smiles	O=C(/C=C(/C1=O)\OC(c2ccccc2)=C1Br)c(cc1)ccc1Br
InChI	InChI=1S/C18H10Br2O3/c19-13-8-6-11(7-9-13)14(21)10-15-17(22)16(20)18(23-15)12-4-2-1-3-5-12/h1-10H
InChIK	IGZKPEHONHSLAT-UHFFFAOYSA-N
TotalMolweight	434.082
Molweight	434.082
MonoisotopicMass	431.899667
CLogP	4.2305
CLogS	-5.686
H Acceptors	3
TotalSurfaceArea	249.91
Relative PSA	0.14437
PolarSurfaceArea	43.37
Druglikeness	-7.3641
Mutagenic	low
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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