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MolName : N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C16H15N5O6

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\C(NC(N1)=O)=CC1=O

InChI : InChI=1S/C16H15N5O6/c22-13-6-10(19-16(25)20-13)7-18-21-14(23)8-17-15(24)9-1-2-11-12(5-9)27-4-3-26-11/h1-2,5-7H,3-4,8H2,(H,17,24)(H,21,23)(H2,19,20,22,25)

InChIK : AZTUAOKXYZEUOB-UHFFFAOYSA-N

TotalMolweight : 373.324

Molweight : 373.324

MonoisotopicMass : 373.102235

CLogP : -0.8399

CLogS : -2.946

H Acceptors : 11

H Donors : 4

TotalSurfaceArea : 273.85

Relative PSA : 0.47292

PolarSurfaceArea : 147.22

Druglikeness : -2.3532

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 5

Amides : 3

StereoCon :