2-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzoic acid
Formula:C13H10N2O4I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzoic acid is not a drug-like molecule.
| MolName | 2-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzoic acid |
| MolecularFormula | C13H10N2O4I2S |
| Smiles | Nc(c(I)cc(S(Nc(cccc1)c1C(O)=O)(=O)=O)c1)c1I |
| InChI | InChI=1S/C13H10I2N2O4S/c14-9-5-7(6-10(15)12(9)16)22(20,21)17-11-4-2-1-3-8(11)13(18)19/h1-6,17H,16H2,(H,18,19) |
| InChIK | RNNQXEXKQUNCEF-UHFFFAOYSA-N |
| TotalMolweight | 544.098 |
| Molweight | 544.098 |
| MonoisotopicMass | 543.845074 |
| CLogP | 1.6407 |
| CLogS | -5.07 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 258.24 |
| Relative PSA | 0.3154 |
| PolarSurfaceArea | 117.87 |
| Druglikeness | 2.0866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzoic acid | 2 - 2-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzoic acid
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