(E)-3-(1H-imidazol-5-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C11H8N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-imidazol-5-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(1H-imidazol-5-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C11H8N4O2S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c1cnc[nH]1 |
| InChI | InChI=1S/C11H8N4O2S/c12-6-10(5-9-7-13-8-15-9)18(16,17)11-3-1-2-4-14-11/h1-5,7-8H,(H,13,15) |
| InChIK | GLPWEEHUAKFDMO-UHFFFAOYSA-N |
| TotalMolweight | 260.277 |
| Molweight | 260.277 |
| MonoisotopicMass | 260.036796 |
| CLogP | -0.2798 |
| CLogS | -2.05 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 195.11 |
| Relative PSA | 0.40013 |
| PolarSurfaceArea | 107.88 |
| Druglikeness | -3.1802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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