(E)-3-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C14H8N2O2ClFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C14H8N2O2ClFS |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C14H8ClFN2O2S/c15-12-4-3-5-13(16)11(12)8-10(9-17)21(19,20)14-6-1-2-7-18-14/h1-8H |
| InChIK | XZWXOUZMXAVYCH-UHFFFAOYSA-N |
| TotalMolweight | 322.747 |
| Molweight | 322.747 |
| MonoisotopicMass | 321.997903 |
| CLogP | 2.2128 |
| CLogS | -4.261 |
| H Acceptors | 4 |
| TotalSurfaceArea | 228.55 |
| Relative PSA | 0.23238 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | -5.8146 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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