(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
Formula:C19H18N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C19H18N2O3F2 |
| Smiles | O=C(/C=C/c1ncccc1)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C19H18F2N2O3/c20-14-4-6-17(21)18(11-14)26-13-16-12-23(9-10-25-16)19(24)7-5-15-3-1-2-8-22-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
| InChIK | CNPZSENMEKNIAR-MRXNPFEDSA-N |
| TotalMolweight | 360.359 |
| Molweight | 360.359 |
| MonoisotopicMass | 360.128549 |
| CLogP | 2.2612 |
| CLogS | -2.881 |
| H Acceptors | 5 |
| TotalSurfaceArea | 273.07 |
| Relative PSA | 0.17417 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | 1.6683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one | 2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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