(E)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-pyridin-4-ylprop-2-en-1-one
Formula:C20H12N2O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C20H12N2O2ClF3 |
| Smiles | O=C(/C=C/c1ccncc1)c(cc1)ccc1Oc(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C20H12ClF3N2O2/c21-17-11-15(20(22,23)24)12-26-19(17)28-16-4-2-14(3-5-16)18(27)6-1-13-7-9-25-10-8-13/h1-12H |
| InChIK | ZLIDHFJRIVUMBG-UHFFFAOYSA-N |
| TotalMolweight | 404.774 |
| Molweight | 404.774 |
| MonoisotopicMass | 404.053939 |
| CLogP | 4.5033 |
| CLogS | -6.586 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.43 |
| Relative PSA | 0.15541 |
| PolarSurfaceArea | 52.08 |
| Druglikeness | -6.8376 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-pyridin-4-ylprop-2-en-1-one | 2 - (E)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-pyridin-4-ylprop-2-en-1-one
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