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C23H20N2O4 | Cheminformatics
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N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C23H20N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName : N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C23H20N2O4

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1OCc1ccccc1

InChI : InChI=1S/C23H20N2O4/c26-23(19-8-11-21-22(14-19)28-13-12-27-21)25-24-15-17-6-9-20(10-7-17)29-16-18-4-2-1-3-5-18/h1-11,14-15H,12-13,16H2,(H,25,26)

InChIK : KIJABLVKXKAIDZ-UHFFFAOYSA-N

TotalMolweight : 388.422

Molweight : 388.422

MonoisotopicMass : 388.142308

CLogP : 4.5285

CLogS : -5.244

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 304.53

Relative PSA : 0.21676

PolarSurfaceArea : 69.15

Druglikeness : -2.8595

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 4

StereoCon :

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1 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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