(E)-1-[2-[(5-chloropyridin-2-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-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C18H18N3O3Cl |
| Smiles | O=C(/C=C/c1ncccc1)N1CC(COc(cc2)ncc2Cl)OCC1 |
| InChI | InChI=1S/C18H18ClN3O3/c19-14-4-6-17(21-11-14)25-13-16-12-22(9-10-24-16)18(23)7-5-15-3-1-2-8-20-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
| InChIK | CGKKRXHSERGZBR-MRXNPFEDSA-N |
| TotalMolweight | 359.812 |
| Molweight | 359.812 |
| MonoisotopicMass | 359.103669 |
| CLogP | 2.0161 |
| CLogS | -2.719 |
| 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 | 0.68 |
| 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-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one | 2 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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