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C18H18N3O3Cl | Cheminformatics

(E)-1-[2-[(5-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 |

MolName : (E)-1-[2-[(5-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

MolecularFormula : C18H18N3O3Cl

Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2cc(Cl)cnc2)OCC1

InChI : InChI=1S/C18H18ClN3O3/c19-14-9-16(11-20-10-14)25-13-17-12-22(7-8-24-17)18(23)5-4-15-3-1-2-6-21-15/h1-6,9-11,17H,7-8,12-13H2/t17-/m1/s1

InChIK : NBLFENRZONGXSP-QGZVFWFLSA-N

TotalMolweight : 359.812

Molweight : 359.812

MonoisotopicMass : 359.103669

CLogP : 1.6647

CLogS : -2.194

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

Request More Details | (E)-1-[2-[(5-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one


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