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C14H8NO3IS | Cheminformatics
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(5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Molecular Formula : C14H8NO3IS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

MolecularFormula : C14H8NO3IS

Smiles : O=C(/C(/S1)=C/c2ccc(-c(cc3)ccc3I)o2)NC1=O

InChI : InChI=1S/C14H8INO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)

InChIK : GJWICEZSGVZKRF-UHFFFAOYSA-N

TotalMolweight : 397.188

Molweight : 397.188

MonoisotopicMass : 396.926962

CLogP : 2.8654

CLogS : -5.625

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 224.65

Relative PSA : 0.30777

PolarSurfaceArea : 84.61

Druglikeness : 4.4133

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.65

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 1

StereoCon :

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1 - (5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
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