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C13H12N2O4F2 N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide | Chemryt

N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

Molecular Formula : C13H12N2O4F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

MolecularFormula : C13H12N2O4F2

Smiles : O=C(C1=COCCO1)N/N=C\c(cccc1)c1OC(F)F

InChI : InChI=1S/C13H12F2N2O4/c14-13(15)21-10-4-2-1-3-9(10)7-16-17-12(18)11-8-19-5-6-20-11/h1-4,7-8,13H,5-6H2,(H,17,18)

InChIK : IBFZWVPEMVLLDZ-UHFFFAOYSA-N

TotalMolweight : 298.244

Molweight : 298.244

MonoisotopicMass : 298.076514

CLogP : 1.0835

CLogS : -3.493

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 221.16

Relative PSA : 0.29847

PolarSurfaceArea : 69.15

Druglikeness : -5.574

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

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

Shape Index : 0.61905

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 1

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