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

Formula:C20H11N2O3Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-1-(3-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-1-(3-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]pyrazolidine-3,5-dione
MolecularFormula	C20H11N2O3Cl3
Smiles	O=C(/C(/C1=O)=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)NN1c1cc(Cl)ccc1
InChI	InChI=1S/C20H11Cl3N2O3/c21-12-2-1-3-13(9-12)25-20(27)15(19(26)24-25)10-14-5-7-18(28-14)11-4-6-16(22)17(23)8-11/h1-10H,(H,24,26)
InChIK	KXMVCSXYJYNFBH-UHFFFAOYSA-N
TotalMolweight	433.677
Molweight	433.677
MonoisotopicMass	431.983524
CLogP	4.1005
CLogS	-6.558
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.2
Relative PSA	0.18573
PolarSurfaceArea	62.55
Druglikeness	4.963
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
StereoCon

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