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C20H18N5O6Cl | Cheminformatics

N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

Molecular Formula : C20H18N5O6Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.

MolName : N'-[(Z)-(3-chloro-4-nitrophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

MolecularFormula : C20H18N5O6Cl

Smiles : [O-][N+](c(ccc(/C=N\NC(C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O)c1)c1Cl)=O

InChI : InChI=1S/C20H18ClN5O6/c21-15-11-13(5-6-17(15)26(30)31)12-22-24-19(28)18(27)23-16-4-2-1-3-14(16)20(29)25-7-9-32-10-8-25/h1-6,11-12H,7-10H2,(H,23,27)(H,24,28)

InChIK : VMOJPANRCZJOFK-UHFFFAOYSA-N

TotalMolweight : 459.845

Molweight : 459.845

MonoisotopicMass : 459.094562

CLogP : 1.5026

CLogS : -4.431

H Acceptors : 11

H Donors : 2

TotalSurfaceArea : 334.88

Relative PSA : 0.35093

PolarSurfaceArea : 145.92

Druglikeness : -0.013293

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.59375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 2

AcidicOxygens : 1

StereoCon :

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