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C18H18N3O3Cl | Cheminformatics
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(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

Molecular Formula : C18H18N3O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

MolecularFormula : C18H18N3O3Cl

Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C18H18ClN3O3/c19-18-16(5-3-9-21-18)25-13-15-12-22(10-11-24-15)17(23)7-6-14-4-1-2-8-20-14/h1-9,15H,10-13H2/t15-/m1/s1

InChIK : OSLQGXANIJAEQS-OAHLLOKOSA-N

TotalMolweight : 359.812

Molweight : 359.812

MonoisotopicMass : 359.103669

CLogP : 1.7621

CLogS : -1.957

H Acceptors : 6

TotalSurfaceArea : 274.55

Relative PSA : 0.21319

PolarSurfaceArea : 64.55

Druglikeness : 3.0602

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

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1 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
2 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
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