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MolName : 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

MolecularFormula : C19H21N4O3BrClS

Smiles : O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1)ccc1Cl

InChI : InChI=1S/C19H20BrClN4O3S/c20-16-3-7-18(8-4-16)29(27,28)25-11-9-24(10-12-25)14-19(26)23-22-13-15-1-5-17(21)6-2-15/h1-8,13H,9-12,14H2,(H,23,26)/p+1

InChIK : XUAGLOAGEHYBOB-UHFFFAOYSA-O

TotalMolweight : 500.824

Molweight : 500.824

MonoisotopicMass : 499.020624

CLogP : 1.2202

CLogS : -3.761

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 339.56

Relative PSA : 0.25247

PolarSurfaceArea : 91.66

Druglikeness : 4.9569

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 7

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :