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

MolecularFormula : C20H19N3O4

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\C=C\c1ccccc1

InChI : InChI=1S/C20H19N3O4/c24-19(23-22-10-4-7-15-5-2-1-3-6-15)14-21-20(25)16-8-9-17-18(13-16)27-12-11-26-17/h1-10,13H,11-12,14H2,(H,21,25)(H,23,24)

InChIK : ONLYRTQUTHWUKC-UHFFFAOYSA-N

TotalMolweight : 365.388

Molweight : 365.388

MonoisotopicMass : 365.137557

CLogP : 2.2824

CLogS : -3.962

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 290.48

Relative PSA : 0.27716

PolarSurfaceArea : 89.02

Druglikeness : -1.7656

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.7037

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

StereoCon :