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C22H20N3O5Cl | Cheminformatics
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(4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Molecular Formula : C22H20N3O5Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName : (4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

MolecularFormula : C22H20N3O5Cl

Smiles : O=C(COc(ccc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Cl)N1CCOCC1

InChI : InChI=1S/C22H20ClN3O5/c23-18-13-15(6-7-19(18)31-14-20(27)25-8-10-30-11-9-25)12-17-21(28)24-26(22(17)29)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2,(H,24,28)

InChIK : RCZOGNJKUDYZQT-UHFFFAOYSA-N

TotalMolweight : 441.87

Molweight : 441.87

MonoisotopicMass : 441.109149

CLogP : 1.1988

CLogS : -3.116

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 320.26

Relative PSA : 0.24255

PolarSurfaceArea : 88.18

Druglikeness : 5.5136

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

StereoCon :

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1 - (4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
2 - (4Z)-4-[[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
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