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C20H20N2O5 | Cheminformatics
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(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

Molecular Formula : C20H20N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

MolecularFormula : C20H20N2O5

Smiles : O=C(/C=C/c1ncccc1)N1CC(COc(cc2)cc3c2OCO3)OCC1

InChI : InChI=1S/C20H20N2O5/c23-20(7-4-15-3-1-2-8-21-15)22-9-10-24-17(12-22)13-25-16-5-6-18-19(11-16)27-14-26-18/h1-8,11,17H,9-10,12-14H2/t17-/m1/s1

InChIK : ADTUPVZSIXREKL-QGZVFWFLSA-N

TotalMolweight : 368.388

Molweight : 368.388

MonoisotopicMass : 368.137223

CLogP : 2.171

CLogS : -2.964

H Acceptors : 7

TotalSurfaceArea : 280.63

Relative PSA : 0.24074

PolarSurfaceArea : 70.12

Druglikeness : 2.9813

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 : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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1 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
2 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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