1-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylimidazole
Formula:C11H9N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylimidazole is a drug-like molecule.
| MolName | 1-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylimidazole |
| MolecularFormula | C11H9N3O4S |
| Smiles | [O-][N+](c1ccc(/C=C/S(n2cncc2)(=O)=O)cc1)=O |
| InChI | InChI=1S/C11H9N3O4S/c15-14(16)11-3-1-10(2-4-11)5-8-19(17,18)13-7-6-12-9-13/h1-9H |
| InChIK | HRAKATKGFJQPEN-UHFFFAOYSA-N |
| TotalMolweight | 279.275 |
| Molweight | 279.275 |
| MonoisotopicMass | 279.031377 |
| CLogP | -0.5969 |
| CLogS | -4.991 |
| H Acceptors | 7 |
| TotalSurfaceArea | 199.73 |
| Relative PSA | 0.38472 |
| PolarSurfaceArea | 106.16 |
| Druglikeness | -8.6166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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