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

Molecular Formula : C16H12N2O6S3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
2-[(5Z)-4-oxo-5-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

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

MolecularFormula : C16H12N2O6S3

Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/C(N2CC(O)=O)=O)\SC2=S)o1)(=O)=O

InChI : InChI=1S/C16H12N2O6S3/c17-27(22,23)11-4-1-9(2-5-11)12-6-3-10(24-12)7-13-15(21)18(8-14(19)20)16(25)26-13/h1-7H,8H2,(H,19,20)(H2,17,22,23)

InChIK : INTRPSYVRVQXSB-UHFFFAOYSA-N

TotalMolweight : 424.477

Molweight : 424.477

MonoisotopicMass : 423.985748

CLogP : 0.23

CLogS : -4.272

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 287.13

Relative PSA : 0.50911

PolarSurfaceArea : 196.68

Druglikeness : 0.78468

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Symmetricatoms : 3

Amides : 2

AcidicOxygens : 1

StereoCon :

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