(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C19H17N2O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C19H17N2O3Cl2F |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc2cccnc2Cl)OCC1 |
| InChI | InChI=1S/C19H17Cl2FN2O3/c20-15-3-1-4-16(22)14(15)6-7-18(25)24-9-10-26-13(11-24)12-27-17-5-2-8-23-19(17)21/h1-8,13H,9-12H2/t13-/m1/s1 |
| InChIK | MIEZGTKPHDDKSX-CYBMUJFWSA-N |
| TotalMolweight | 411.259 |
| Molweight | 411.259 |
| MonoisotopicMass | 410.060025 |
| CLogP | 3.4158 |
| CLogS | -3.778 |
| H Acceptors | 5 |
| TotalSurfaceArea | 297.56 |
| Relative PSA | 0.15983 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | 1.7202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
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