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C19H17N2O3Cl2F (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one | Chemryt

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

Molecular Formula : C19H17N2O3Cl2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C19H17N2O3Cl2F

Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc2)ncc2Cl)OCC1

InChI : InChI=1S/C19H17Cl2FN2O3/c20-13-4-6-18(23-10-13)27-12-14-11-24(8-9-26-14)19(25)7-5-15-16(21)2-1-3-17(15)22/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1

InChIK : VNLBGIPBCHWZHD-CQSZACIVSA-N

TotalMolweight : 411.259

Molweight : 411.259

MonoisotopicMass : 410.060025

CLogP : 3.6698

CLogS : -4.54

H Acceptors : 5

TotalSurfaceArea : 297.56

Relative PSA : 0.15983

PolarSurfaceArea : 51.66

Druglikeness : 1.7202

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

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

Aromatic Nitrogens : 1

StereoCon : racemate

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