(4Z)-1-(3-chlorophenyl)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]pyrazolidine-3,5-dione

Formula:C16H9N2O3ClI2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4Z)-1-(3-chlorophenyl)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]pyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-1-(3-chlorophenyl)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C16H9N2O3ClI2
Smiles	Oc(c(/C=C(/C(NN1c2cc(Cl)ccc2)=O)\C1=O)cc(I)c1)c1I
InChI	InChI=1S/C16H9ClI2N2O3/c17-9-2-1-3-11(6-9)21-16(24)12(15(23)20-21)5-8-4-10(18)7-13(19)14(8)22/h1-7,22H,(H,20,23)
InChIK	RSCMRNLZYIRLPG-UHFFFAOYSA-N
TotalMolweight	566.511
Molweight	566.511
MonoisotopicMass	565.839116
CLogP	2.4781
CLogS	-5.362
H Acceptors	5
H Donors	2
TotalSurfaceArea	275.82
Relative PSA	0.19647
PolarSurfaceArea	69.64
Druglikeness	4.5802
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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