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C19H24N3O4S2 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide | Chemryt

4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide

Molecular Formula : C19H24N3O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide

MolecularFormula : C19H24N3O4S2

Smiles : NS(c(cc1)ccc1S(N1CC[NH+](C/C=C/c2ccccc2)CC1)(=O)=O)(=O)=O

InChI : InChI=1S/C19H23N3O4S2/c20-27(23,24)18-8-10-19(11-9-18)28(25,26)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H2,20,23,24)/p+1

InChIK : YWYGBNCYZXXPMO-UHFFFAOYSA-O

TotalMolweight : 422.549

Molweight : 422.549

MonoisotopicMass : 422.120822

CLogP : -0.3546

CLogS : -2.063

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 315.14

Relative PSA : 0.29692

PolarSurfaceArea : 118.74

Druglikeness : 2.505

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 8

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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