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C17H14N2O5 | Cheminformatics
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N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide

Molecular Formula : C17H14N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide

MolecularFormula : C17H14N2O5

Smiles : O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C17H14N2O5/c20-17(12-2-4-14-16(8-12)24-10-23-14)19-18-9-11-1-3-13-15(7-11)22-6-5-21-13/h1-4,7-9H,5-6,10H2,(H,19,20)

InChIK : WBXJCOUIEWIEAF-UHFFFAOYSA-N

TotalMolweight : 326.307

Molweight : 326.307

MonoisotopicMass : 326.090273

CLogP : 3.2918

CLogS : -4.614

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 241.27

Relative PSA : 0.31504

PolarSurfaceArea : 78.38

Druglikeness : -2.9227

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.625

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

StereoCon :

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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
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