(4Z)-4-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C20H12N2O3BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:low (4Z)-4-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C20H12N2O3BrCl
Smiles	O=C(/C(/C1=O)=C/c2ccc(-c(cc3)cc(Cl)c3Br)o2)NN1c1ccccc1
InChI	InChI=1S/C20H12BrClN2O3/c21-16-8-6-12(10-17(16)22)18-9-7-14(27-18)11-15-19(25)23-24(20(15)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)
InChIK	JGISEIPJEXZYSN-UHFFFAOYSA-N
TotalMolweight	443.683
Molweight	443.683
MonoisotopicMass	441.971981
CLogP	3.6137
CLogS	-5.92
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.99
Relative PSA	0.19369
PolarSurfaceArea	62.55
Druglikeness	3.173
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
StereoCon

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