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C16H10NO4IS2 | Cheminformatics
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2-[(5E)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Molecular Formula : C16H10NO4IS2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
2-[(5E)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName : 2-[(5E)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

MolecularFormula : C16H10NO4IS2

Smiles : OC(CN(C(/C(/S1)=C\c2ccc(-c(cc3)ccc3I)o2)=O)C1=S)=O

InChI : InChI=1S/C16H10INO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)

InChIK : MDBKPDBIBPQOHO-UHFFFAOYSA-N

TotalMolweight : 471.29

Molweight : 471.29

MonoisotopicMass : 470.909597

CLogP : 1.9031

CLogS : -5.389

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 276.31

Relative PSA : 0.37034

PolarSurfaceArea : 128.14

Druglikeness : -0.38603

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.625

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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1 - 2-[(5E)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
2 - 2-[(5E)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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