(E)-3-(2,4-difluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C14H8N2O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-difluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(2,4-difluorophenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C14H8N2O2F2S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C14H8F2N2O2S/c15-11-5-4-10(13(16)8-11)7-12(9-17)21(19,20)14-3-1-2-6-18-14/h1-8H |
| InChIK | AWSGKXPGYGBIDS-UHFFFAOYSA-N |
| TotalMolweight | 306.292 |
| Molweight | 306.292 |
| MonoisotopicMass | 306.027454 |
| CLogP | 1.7076 |
| CLogS | -3.839 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.48 |
| Relative PSA | 0.24198 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | -6.1488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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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