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C22H16N3O3F5 (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one | Chemryt

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

Molecular Formula : C22H16N3O3F5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C22H16N3O3F5

Smiles : O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc2ncnc3ccccc23)OCC1

InChI : InChI=1S/C22H16F5N3O3/c23-17-14(18(24)20(26)21(27)19(17)25)5-6-16(31)30-7-8-32-12(9-30)10-33-22-13-3-1-2-4-15(13)28-11-29-22/h1-6,11-12H,7-10H2/t12-/m1/s1

InChIK : BBWHMVBPYCODAA-GFCCVEGCSA-N

TotalMolweight : 465.377

Molweight : 465.377

MonoisotopicMass : 465.111182

CLogP : 3.6156

CLogS : -5.616

H Acceptors : 6

TotalSurfaceArea : 325.48

Relative PSA : 0.17983

PolarSurfaceArea : 64.55

Druglikeness : 1.6683

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions : polyhalo aromatic ring

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 11

Electronegative Atoms : 11

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

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