4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid
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 |
Click to Load Molecule:
1 - 4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid | 2 - 4-[(3,5-diiodophenyl)sulfonylamino]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off