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C20H14N2O3F8 | Cheminformatics

(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C20H14N2O3F8 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C20H14N2O3F8

Smiles : O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1

InChI : InChI=1S/C20H14F8N2O3/c21-15-12(16(22)18(24)19(25)17(15)23)2-4-14(31)30-5-6-32-11(8-30)9-33-13-3-1-10(7-29-13)20(26,27)28/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1

InChIK : CLOZJQFCHDQYBG-LLVKDONJSA-N

TotalMolweight : 482.326

Molweight : 482.326

MonoisotopicMass : 482.087667

CLogP : 3.7093

CLogS : -5.102

H Acceptors : 5

TotalSurfaceArea : 321.58

Relative PSA : 0.14789

PolarSurfaceArea : 51.66

Druglikeness : -4.1817

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polyhalo aromatic ring

Shape Index : 0.57576

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 13

Electronegative Atoms : 13

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 6

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

Request More Details | (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one


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