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MolName : 2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetate

MolecularFormula : C18H15N2O6

Smiles : [O-]C(COc1c(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cccc1)=O

InChI : InChI=1S/C18H16N2O6/c21-17(22)11-26-14-4-2-1-3-13(14)10-19-20-18(23)12-5-6-15-16(9-12)25-8-7-24-15/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,22)/p-1

InChIK : SNGGLTVQSLOMHW-UHFFFAOYSA-M

TotalMolweight : 355.325

Molweight : 355.325

MonoisotopicMass : 355.093013

CLogP : 0.1644

CLogS : -3.696

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 270.05

Relative PSA : 0.3456

PolarSurfaceArea : 109.28

Druglikeness : -2.6336

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

AcidicOxygens : 1

StereoCon :