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C19H14N2O3ClF5 | Cheminformatics

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

Molecular Formula : C19H14N2O3ClF5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C19H14N2O3ClF5

Smiles : O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc(cc2)ncc2Cl)OCC1

InChI : InChI=1S/C19H14ClF5N2O3/c20-10-1-3-13(26-7-10)30-9-11-8-27(5-6-29-11)14(28)4-2-12-15(21)17(23)19(25)18(24)16(12)22/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1

InChIK : OAOUCBMUUIPYLZ-LLVKDONJSA-N

TotalMolweight : 448.774

Molweight : 448.774

MonoisotopicMass : 448.06131

CLogP : 3.467

CLogS : -5.06

H Acceptors : 5

TotalSurfaceArea : 307.54

Relative PSA : 0.15465

PolarSurfaceArea : 51.66

Druglikeness : 1.7202

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polyhalo aromatic ring

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 11

Electronegative Atoms : 11

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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


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