Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

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

MolecularFormula : C18H16N2O6

Smiles : OC(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)

InChIK : SNGGLTVQSLOMHW-UHFFFAOYSA-N

TotalMolweight : 356.333

Molweight : 356.333

MonoisotopicMass : 356.100838

CLogP : 2.2404

CLogS : -3.696

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 268.87

Relative PSA : 0.34273

PolarSurfaceArea : 106.45

Druglikeness : -2.683

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 :