(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione

Formula:C16H11N2O3I Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-4-[(4-hydroxyphenyl)methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione
MolecularFormula	C16H11N2O3I
Smiles	Oc1ccc(/C=C(/C(NN2c(cc3)ccc3I)=O)\C2=O)cc1
InChI	InChI=1S/C16H11IN2O3/c17-11-3-5-12(6-4-11)19-16(22)14(15(21)18-19)9-10-1-7-13(20)8-2-10/h1-9,20H,(H,18,21)
InChIK	SJJLXHQNRCRKEW-UHFFFAOYSA-N
TotalMolweight	406.174
Molweight	406.174
MonoisotopicMass	405.981441
CLogP	1.435
CLogS	-3.61
H Acceptors	5
H Donors	2
TotalSurfaceArea	234.12
Relative PSA	0.23146
PolarSurfaceArea	69.64
Druglikeness	4.5454
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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