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C11H11N3O3 N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]pyridine-3-carboxamide | Chemryt

N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]pyridine-3-carboxamide

Molecular Formula : C11H11N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]pyridine-3-carboxamide

MolecularFormula : C11H11N3O3

Smiles : O=C(c1cnccc1)N/N=C\C1=COCCO1

InChI : InChI=1S/C11H11N3O3/c15-11(9-2-1-3-12-6-9)14-13-7-10-8-16-4-5-17-10/h1-3,6-8H,4-5H2,(H,14,15)

InChIK : CRSOHYWEXNFKNH-UHFFFAOYSA-N

TotalMolweight : 233.226

Molweight : 233.226

MonoisotopicMass : 233.080042

CLogP : -0.3977

CLogS : -1.998

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 184.72

Relative PSA : 0.3626

PolarSurfaceArea : 72.81

Druglikeness : -3.0242

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

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

Shape Index : 0.70588

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Aromatic Nitrogens : 1

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