(E)-3-(3-phenoxythiophen-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile
Formula:C19H11N2O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenoxythiophen-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(3-phenoxythiophen-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile |
| MolecularFormula | C19H11N2O3F3S2 |
| Smiles | N#C/C(/S(c1ncc(C(F)(F)F)cc1)(=O)=O)=C\c(scc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C19H11F3N2O3S2/c20-19(21,22)13-6-7-18(24-12-13)29(25,26)15(11-23)10-17-16(8-9-28-17)27-14-4-2-1-3-5-14/h1-10,12H |
| InChIK | IZCZSPHUNYRJSH-UHFFFAOYSA-N |
| TotalMolweight | 436.433 |
| Molweight | 436.433 |
| MonoisotopicMass | 436.016317 |
| CLogP | 3.6165 |
| CLogS | -6.296 |
| H Acceptors | 5 |
| TotalSurfaceArea | 301.94 |
| Relative PSA | 0.27645 |
| PolarSurfaceArea | 116.67 |
| Druglikeness | -10.776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3-phenoxythiophen-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile | 2 - (E)-3-(3-phenoxythiophen-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile
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