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MolName : [3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

MolecularFormula : C21H16N2O5S

Smiles : O=C(c1cccs1)Oc1cc(/C=N\NC(c(cc2)cc3c2OCCO3)=O)ccc1

InChI : InChI=1S/C21H16N2O5S/c24-20(15-6-7-17-18(12-15)27-9-8-26-17)23-22-13-14-3-1-4-16(11-14)28-21(25)19-5-2-10-29-19/h1-7,10-13H,8-9H2,(H,23,24)

InChIK : HTOSHSNGHDDMAS-UHFFFAOYSA-N

TotalMolweight : 408.433

Molweight : 408.433

MonoisotopicMass : 408.077993

CLogP : 4.4775

CLogS : -5.383

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 304.46

Relative PSA : 0.32651

PolarSurfaceArea : 114.46

Druglikeness : -1.0951

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62069

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

StereoCon :