(E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate
Formula:C10H9N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate |
| MolecularFormula | C10H9N2O5S |
| Smiles | NS(c(cc1)ccc1NC(/C=C/C([O-])=O)=O)(=O)=O |
| InChI | InChI=1S/C10H10N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)(H2,11,16,17)/p-1 |
| InChIK | XPUWNQCCZQOGTI-UHFFFAOYSA-M |
| TotalMolweight | 269.256 |
| Molweight | 269.256 |
| MonoisotopicMass | 269.023218 |
| CLogP | -2.5684 |
| CLogS | -1.644 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 191.35 |
| Relative PSA | 0.49997 |
| PolarSurfaceArea | 137.77 |
| Druglikeness | 2.7226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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