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C19H18N3O3F3 (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | Chemryt

(E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C19H18N3O3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C19H18N3O3F3

Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1

InChI : InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)28-13-16-12-25(9-10-27-16)18(26)7-5-15-3-1-2-8-23-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1

InChIK : LFABEEVVMSTCSK-MRXNPFEDSA-N

TotalMolweight : 393.364

Molweight : 393.364

MonoisotopicMass : 393.130026

CLogP : 2.2584

CLogS : -2.761

H Acceptors : 6

TotalSurfaceArea : 288.59

Relative PSA : 0.20281

PolarSurfaceArea : 64.55

Druglikeness : -4.1817

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

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