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C13H9NO4I2S | Cheminformatics
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4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid

Molecular Formula : C13H9NO4I2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid is not a drug-like molecule.

MolName : 4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid

MolecularFormula : C13H9NO4I2S

Smiles : OC(c(cc1)ccc1NS(c1cc(I)cc(I)c1)(=O)=O)=O

InChI : InChI=1S/C13H9I2NO4S/c14-9-5-10(15)7-12(6-9)21(19,20)16-11-3-1-8(2-4-11)13(17)18/h1-7,16H,(H,17,18)

InChIK : GIKZCAFXYBDIMG-UHFFFAOYSA-N

TotalMolweight : 529.083

Molweight : 529.083

MonoisotopicMass : 528.834175

CLogP : 2.318

CLogS : -4.994

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 249.72

Relative PSA : 0.26502

PolarSurfaceArea : 91.85

Druglikeness : -1.3249

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 6

Amides : 1

AcidicOxygens : 1

StereoCon :

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