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C17H18N4O3 | Cheminformatics

(E)-3-pyridin-2-yl-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C17H18N4O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (E)-3-pyridin-2-yl-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C17H18N4O3

Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2ncccn2)OCC1

InChI : InChI=1S/C17H18N4O3/c22-16(6-5-14-4-1-2-7-18-14)21-10-11-23-15(12-21)13-24-17-19-8-3-9-20-17/h1-9,15H,10-13H2/t15-/m1/s1

InChIK : XNXZBKAJSWLWPN-OAHLLOKOSA-N

TotalMolweight : 326.355

Molweight : 326.355

MonoisotopicMass : 326.137891

CLogP : 0.8659

CLogS : -1.52

H Acceptors : 7

TotalSurfaceArea : 257.89

Relative PSA : 0.26949

PolarSurfaceArea : 77.44

Druglikeness : 3.0083

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 3

StereoCon : racemate

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