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C19H22N2O2ClS 1-(4-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium | Chemryt

1-(4-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Molecular Formula : C19H22N2O2ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C19H22N2O2ClS

Smiles : O=S(c(cc1)ccc1Cl)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O

InChI : InChI=1S/C19H21ClN2O2S/c20-18-8-10-19(11-9-18)25(23,24)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/p+1

InChIK : NRMPKYKDLBLXKC-UHFFFAOYSA-O

TotalMolweight : 377.915

Molweight : 377.915

MonoisotopicMass : 377.10905

CLogP : 1.4874

CLogS : -2.9

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 293.46

Relative PSA : 0.16943

PolarSurfaceArea : 50.2

Druglikeness : 2.0394

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 6

Electronegative Atoms : 6

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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