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MolName : 2-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

MolecularFormula : C22H18N2O6

Smiles : OC(c(cccc1)c1-c1ccc(/C=N\NC(Cc(cc2)cc3c2OCCO3)=O)o1)=O

InChI : InChI=1S/C22H18N2O6/c25-21(12-14-5-7-19-20(11-14)29-10-9-28-19)24-23-13-15-6-8-18(30-15)16-3-1-2-4-17(16)22(26)27/h1-8,11,13H,9-10,12H2,(H,24,25)(H,26,27)

InChIK : KBQQXALLIRAFCI-UHFFFAOYSA-N

TotalMolweight : 406.393

Molweight : 406.393

MonoisotopicMass : 406.116488

CLogP : 3.6025

CLogS : -5.341

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 308.32

Relative PSA : 0.31221

PolarSurfaceArea : 110.36

Druglikeness : -0.71496

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 6

AcidicOxygens : 1

StereoCon :