[3-[(4-iodophenyl)sulfonylamino]phenyl]boronic acid
Formula:C12H11NO4BIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(4-iodophenyl)sulfonylamino]phenyl]boronic acid is a drug-like molecule.
| MolName | [3-[(4-iodophenyl)sulfonylamino]phenyl]boronic acid |
| MolecularFormula | C12H11NO4BIS |
| Smiles | OB(c1cccc(NS(c(cc2)ccc2I)(=O)=O)c1)O |
| InChI | InChI=1S/C12H11BINO4S/c14-10-4-6-12(7-5-10)20(18,19)15-11-3-1-2-9(8-11)13(16)17/h1-8,15-17H |
| InChIK | RXGZKFBDCZDHKH-UHFFFAOYSA-N |
| TotalMolweight | 402.999 |
| Molweight | 402.999 |
| MonoisotopicMass | 402.954657 |
| CLogP | 2.1192 |
| CLogS | -1.244 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 226.64 |
| Relative PSA | 0.29227 |
| PolarSurfaceArea | 95.01 |
| Druglikeness | -10.594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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