(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
Formula:C18H18N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C18H18N3O3Cl |
| Smiles | O=C(/C=C/c1ncccc1)N1CC(COc2cccnc2Cl)OCC1 |
| InChI | InChI=1S/C18H18ClN3O3/c19-18-16(5-3-9-21-18)25-13-15-12-22(10-11-24-15)17(23)7-6-14-4-1-2-8-20-14/h1-9,15H,10-13H2/t15-/m1/s1 |
| InChIK | OSLQGXANIJAEQS-OAHLLOKOSA-N |
| TotalMolweight | 359.812 |
| Molweight | 359.812 |
| MonoisotopicMass | 359.103669 |
| CLogP | 1.7621 |
| CLogS | -1.957 |
| H Acceptors | 6 |
| TotalSurfaceArea | 274.55 |
| Relative PSA | 0.21319 |
| PolarSurfaceArea | 64.55 |
| Druglikeness | 3.0602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| 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 | 2 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one | 2 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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