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C20H19N2O4Cl | Cheminformatics
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2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

Molecular Formula : C20H19N2O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName : 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

MolecularFormula : C20H19N2O4Cl

Smiles : Oc1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c(cccc2)c2Cl)=O)cc1

InChI : InChI=1S/C20H19ClN2O4/c21-17-4-2-1-3-16(17)19(25)22-18(13-14-5-7-15(24)8-6-14)20(26)23-9-11-27-12-10-23/h1-8,13,24H,9-12H2,(H,22,25)

InChIK : FZFLHLIAJNPAHN-UHFFFAOYSA-N

TotalMolweight : 386.834

Molweight : 386.834

MonoisotopicMass : 386.103335

CLogP : 3.2109

CLogS : -3.511

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 288.3

Relative PSA : 0.22265

PolarSurfaceArea : 78.87

Druglikeness : 4.8949

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

StereoCon :

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1 - 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
2 - 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
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