(E)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C16H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C16H10N2O3S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C16H10N2O3S/c17-11-14(22(19,20)16-7-3-4-8-18-16)10-13-9-12-5-1-2-6-15(12)21-13/h1-10H |
| InChIK | BAFOSINEXFQCIY-UHFFFAOYSA-N |
| TotalMolweight | 310.332 |
| Molweight | 310.332 |
| MonoisotopicMass | 310.041213 |
| CLogP | 2.0116 |
| CLogS | -4.394 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.07 |
| Relative PSA | 0.29091 |
| PolarSurfaceArea | 92.34 |
| Druglikeness | -3.3513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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