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C21H18N2O3 | Cheminformatics
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N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide

Molecular Formula : C21H18N2O3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.

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

MolecularFormula : C21H18N2O3

Smiles : O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C21H18N2O3/c24-21(13-17-6-3-5-16-4-1-2-7-18(16)17)23-22-14-15-8-9-19-20(12-15)26-11-10-25-19/h1-9,12,14H,10-11,13H2,(H,23,24)

InChIK : LETRWPMCFYNPPQ-UHFFFAOYSA-N

TotalMolweight : 346.385

Molweight : 346.385

MonoisotopicMass : 346.131743

CLogP : 4.3729

CLogS : -5.474

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 269.37

Relative PSA : 0.20793

PolarSurfaceArea : 59.92

Druglikeness : -2.8714

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 5

StereoCon :

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