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MolName : N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C17H16N4O4

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c1cnccc1

InChI : InChI=1S/C17H16N4O4/c22-16(21-20-10-12-2-1-5-18-9-12)11-19-17(23)13-3-4-14-15(8-13)25-7-6-24-14/h1-5,8-10H,6-7,11H2,(H,19,23)(H,21,22)

InChIK : IXFMSWITMMFECL-UHFFFAOYSA-N

TotalMolweight : 340.338

Molweight : 340.338

MonoisotopicMass : 340.117156

CLogP : 1.2632

CLogS : -2.875

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 262.74

Relative PSA : 0.34818

PolarSurfaceArea : 101.91

Druglikeness : -1.8562

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Amides : 1

Aromatic Nitrogens : 1

StereoCon :