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

MolecularFormula : C20H19N3O7

Smiles : OC(COc1c(/C=N\NC(CNC(c(cc2)cc3c2OCCO3)=O)=O)cccc1)=O

InChI : InChI=1S/C20H19N3O7/c24-18(23-22-10-14-3-1-2-4-15(14)30-12-19(25)26)11-21-20(27)13-5-6-16-17(9-13)29-8-7-28-16/h1-6,9-10H,7-8,11-12H2,(H,21,27)(H,23,24)(H,25,26)

InChIK : FTSYQBDWWHEQOF-UHFFFAOYSA-N

TotalMolweight : 413.385

Molweight : 413.385

MonoisotopicMass : 413.122302

CLogP : 1.3241

CLogS : -3.463

H Acceptors : 10

H Donors : 3

TotalSurfaceArea : 311.84

Relative PSA : 0.37407

PolarSurfaceArea : 135.55

Druglikeness : -1.6232

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Amides : 1

AcidicOxygens : 1

StereoCon :