(5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C10H5NO3I2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC10H5NO3I2S
SmilesOc(c(/C=C(\C(N1)=O)/SC1=O)cc(I)c1)c1I
InChIInChI=1S/C10H5I2NO3S/c11-5-1-4(8(14)6(12)3-5)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
InChIKKLPMKZUZAWSQTB-UHFFFAOYSA-N
TotalMolweight473.02
Molweight473.02
MonoisotopicMass472.80796
CLogP2.0179
CLogS-4.885
H Acceptors4
H Donors2
TotalSurfaceArea207.83
Relative PSA0.32782
PolarSurfaceArea91.7
Druglikeness3.5074
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.52941
Fragments1
Non HAtoms17
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond1
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms2
Amides1
StereoCon

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