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C21H17N3O4 | Cheminformatics
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N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide

Molecular Formula : C21H17N3O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.

MolName : N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide

MolecularFormula : C21H17N3O4

Smiles : O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc1cccc2ccccc12

InChI : InChI=1S/C21H17N3O4/c25-20(23-17-7-3-5-15-4-1-2-6-16(15)17)21(26)24-22-13-14-8-9-18-19(12-14)28-11-10-27-18/h1-9,12-13H,10-11H2,(H,23,25)(H,24,26)

InChIK : DZGXERSFTMCXLW-UHFFFAOYSA-N

TotalMolweight : 375.383

Molweight : 375.383

MonoisotopicMass : 375.121907

CLogP : 3.3171

CLogS : -5.313

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 284.82

Relative PSA : 0.28267

PolarSurfaceArea : 89.02

Druglikeness : -3.4964

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 4

Amides : 1

StereoCon :

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1 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide
2 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide
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