4-[(4-hydroxy-3,5-diiodophenyl)sulfonylamino]benzoic acid
Formula:C13H9NO5I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(4-hydroxy-3,5-diiodophenyl)sulfonylamino]benzoic acid is not a drug-like molecule.
| MolName | 4-[(4-hydroxy-3,5-diiodophenyl)sulfonylamino]benzoic acid |
| MolecularFormula | C13H9NO5I2S |
| Smiles | OC(c(cc1)ccc1NS(c(cc1I)cc(I)c1O)(=O)=O)=O |
| InChI | InChI=1S/C13H9I2NO5S/c14-10-5-9(6-11(15)12(10)17)22(20,21)16-8-3-1-7(2-4-8)13(18)19/h1-6,16-17H,(H,18,19) |
| InChIK | XPHBLDITCWPULJ-UHFFFAOYSA-N |
| TotalMolweight | 545.082 |
| Molweight | 545.082 |
| MonoisotopicMass | 544.82909 |
| CLogP | 1.9723 |
| CLogS | -4.698 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 256.07 |
| Relative PSA | 0.3096 |
| PolarSurfaceArea | 112.08 |
| Druglikeness | 1.2919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(4-hydroxy-3,5-diiodophenyl)sulfonylamino]benzoic acid | 2 - 4-[(4-hydroxy-3,5-diiodophenyl)sulfonylamino]benzoic acid
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