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C20H19NO3F2S | Cheminformatics
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(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one

Molecular Formula : C20H19NO3F2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C20H19NO3F2S

Smiles : O=C(/C=C/Sc1ccccc1)N1CC(COc(cc(cc2)F)c2F)OCC1

InChI : InChI=1S/C20H19F2NO3S/c21-15-6-7-18(22)19(12-15)26-14-16-13-23(9-10-25-16)20(24)8-11-27-17-4-2-1-3-5-17/h1-8,11-12,16H,9-10,13-14H2/t16-/m1/s1

InChIK : MWSRFUATBFMEIV-MRXNPFEDSA-N

TotalMolweight : 391.437

Molweight : 391.437

MonoisotopicMass : 391.10537

CLogP : 3.2546

CLogS : -4.04

H Acceptors : 4

TotalSurfaceArea : 291.8

Relative PSA : 0.18533

PolarSurfaceArea : 64.07

Druglikeness : 1.8041

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

StereoCon : racemate

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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
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