5-(benzenesulfonamido)-2-[(E)-2-[4-(benzenesulfonamido)-2-sulfophenyl]ethenyl]benzenesulfonic acid
Formula:C26H22N2O10S4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-(benzenesulfonamido)-2-[(E)-2-[4-(benzenesulfonamido)-2-sulfophenyl]ethenyl]benzenesulfonic acid is not a drug-like molecule.
| MolName | 5-(benzenesulfonamido)-2-[(E)-2-[4-(benzenesulfonamido)-2-sulfophenyl]ethenyl]benzenesulfonic acid |
| MolecularFormula | C26H22N2O10S4 |
| Smiles | OS(c1c(/C=C/c(ccc(NS(c2ccccc2)(=O)=O)c2)c2S(O)(=O)=O)ccc(NS(c2ccccc2)(=O)=O)c1)(=O)=O |
| InChI | InChI=1S/C26H22N2O10S4/c29-39(30,23-7-3-1-4-8-23)27-21-15-13-19(25(17-21)41(33,34)35)11-12-20-14-16-22(18-26(20)42(36,37)38)28-40(31,32)24-9-5-2-6-10-24/h1-18,27-28H,(H,33,34,35)(H,36,37,38) |
| InChIK | YSGHGLXQMSKOSR-UHFFFAOYSA-N |
| TotalMolweight | 650.729 |
| Molweight | 650.729 |
| MonoisotopicMass | 650.015728 |
| CLogP | 0.0062 |
| CLogS | -3.63 |
| H Acceptors | 12 |
| H Donors | 4 |
| TotalSurfaceArea | 428.98 |
| Relative PSA | 0.381 |
| PolarSurfaceArea | 234.6 |
| Druglikeness | -8.2823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 25 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 5-(benzenesulfonamido)-2-[(E)-2-[4-(benzenesulfonamido)-2-sulfophenyl]ethenyl]benzenesulfonic acid | 2 - 5-(benzenesulfonamido)-2-[(E)-2-[4-(benzenesulfonamido)-2-sulfophenyl]ethenyl]benzenesulfonic acid
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