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C19H23N2O2S 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium | Chemryt

1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium

Molecular Formula : C19H23N2O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium

MolecularFormula : C19H23N2O2S

Smiles : O=S(/C=C/c1ccccc1)(N1CC[NH+](Cc2ccccc2)CC1)=O

InChI : InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/p+1

InChIK : MKCLLEUTXFVXRL-UHFFFAOYSA-O

TotalMolweight : 343.47

Molweight : 343.47

MonoisotopicMass : 343.148023

CLogP : 0.6461

CLogS : -3.077

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 278.04

Relative PSA : 0.17882

PolarSurfaceArea : 50.2

Druglikeness : 0.52309

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 7

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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