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C19H19N2O3ClS | Cheminformatics
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(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one

Molecular Formula : C19H19N2O3ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C19H19N2O3ClS

Smiles : O=C(/C=C/Sc1ccccc1)N1CC(COc(cc2)ncc2Cl)OCC1

InChI : InChI=1S/C19H19ClN2O3S/c20-15-6-7-18(21-12-15)25-14-16-13-22(9-10-24-16)19(23)8-11-26-17-4-2-1-3-5-17/h1-8,11-12,16H,9-10,13-14H2/t16-/m1/s1

InChIK : VVSKZDWKPWHFBS-MRXNPFEDSA-N

TotalMolweight : 390.89

Molweight : 390.89

MonoisotopicMass : 390.08049

CLogP : 3.0095

CLogS : -3.878

H Acceptors : 5

TotalSurfaceArea : 293.28

Relative PSA : 0.2218

PolarSurfaceArea : 76.96

Druglikeness : 3.196

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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1 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
2 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
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