2-[[(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

Formula:C18H11N2O3IS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
MolecularFormula	C18H11N2O3IS
Smiles	N#Cc1c(CN(C(/C(/S2)=C\c(cc3)cc(I)c3O)=O)C2=O)cccc1
InChI	InChI=1S/C18H11IN2O3S/c19-14-7-11(5-6-15(14)22)8-16-17(23)21(18(24)25-16)10-13-4-2-1-3-12(13)9-20/h1-8,22H,10H2
InChIK	LKFYPSNXANIQGV-UHFFFAOYSA-N
TotalMolweight	462.262
Molweight	462.262
MonoisotopicMass	461.953511
CLogP	3.0874
CLogS	-5.603
H Acceptors	5
H Donors	1
TotalSurfaceArea	275.62
Relative PSA	0.26769
PolarSurfaceArea	106.7
Druglikeness	0.56219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
StereoCon

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