(E)-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
Formula:C15H14N2O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid |
| MolecularFormula | C15H14N2O6S2 |
| Smiles | NS(c(cc1)ccc1NS(c1ccc(/C=C/C(O)=O)cc1)(=O)=O)(=O)=O |
| InChI | InChI=1S/C15H14N2O6S2/c16-24(20,21)13-8-4-12(5-9-13)17-25(22,23)14-6-1-11(2-7-14)3-10-15(18)19/h1-10,17H,(H,18,19)(H2,16,20,21) |
| InChIK | OOKSOQLEKPCQNU-UHFFFAOYSA-N |
| TotalMolweight | 382.416 |
| Molweight | 382.416 |
| MonoisotopicMass | 382.029328 |
| CLogP | 0.537 |
| CLogS | -3.231 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 260.76 |
| Relative PSA | 0.42196 |
| PolarSurfaceArea | 160.39 |
| Druglikeness | 4.913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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