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C19H24N2O7S | Cheminformatics
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(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Molecular Formula : C19H24N2O7S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName : (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

MolecularFormula : C19H24N2O7S

Smiles : O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N1CCOCC1

InChI : InChI=1S/C19H24N2O7S/c22-18(20-7-11-26-12-8-20)15-28-19(23)6-3-16-1-4-17(5-2-16)29(24,25)21-9-13-27-14-10-21/h1-6H,7-15H2

InChIK : HZYUMBSNCWSEHU-UHFFFAOYSA-N

TotalMolweight : 424.473

Molweight : 424.473

MonoisotopicMass : 424.130423

CLogP : 0.2638

CLogS : -0.805

H Acceptors : 9

TotalSurfaceArea : 311.28

Relative PSA : 0.29478

PolarSurfaceArea : 110.83

Druglikeness : 3.188

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 13

Symmetricatoms : 7

Amides : 2

StereoCon :

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