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C19H14N2O3ClF5 | Cheminformatics

(E)-1-[2-[(2-chloropyridin-3-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-[(2-chloropyridin-3-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(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C19H14ClF5N2O3/c20-19-12(2-1-5-26-19)30-9-10-8-27(6-7-29-10)13(28)4-3-11-14(21)16(23)18(25)17(24)15(11)22/h1-5,10H,6-9H2/t10-/m1/s1

InChIK : UBGYOCAVGSBKJX-SNVBAGLBSA-N

TotalMolweight : 448.774

Molweight : 448.774

MonoisotopicMass : 448.06131

CLogP : 3.213

CLogS : -4.298

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 : 0.56667

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


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