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C20H17NO3ClF3 | Cheminformatics
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(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C20H17NO3ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C20H17NO3ClF3

Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc(cc2)F)c2F)OCC1

InChI : InChI=1S/C20H17ClF3NO3/c21-16-2-1-3-17(23)15(16)5-7-20(26)25-8-9-27-14(11-25)12-28-19-10-13(22)4-6-18(19)24/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1

InChIK : CXLNUTAWQYOYSG-CQSZACIVSA-N

TotalMolweight : 411.806

Molweight : 411.806

MonoisotopicMass : 411.084905

CLogP : 3.9149

CLogS : -4.702

H Acceptors : 4

TotalSurfaceArea : 296.08

Relative PSA : 0.12358

PolarSurfaceArea : 38.77

Druglikeness : 1.7202

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 28

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

StereoCon : racemate

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1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
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