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C19H22N3O4S 1-(4-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium | Chemryt

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

Molecular Formula : C19H22N3O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C19H22N3O4S

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

InChI : InChI=1S/C19H21N3O4S/c23-22(24)18-8-10-19(11-9-18)27(25,26)21-15-13-20(14-16-21)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/p+1

InChIK : FJKNPJWTEZBBKX-UHFFFAOYSA-O

TotalMolweight : 388.467

Molweight : 388.467

MonoisotopicMass : 388.133102

CLogP : 1.2746

CLogS : -2.624

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 301.71

Relative PSA : 0.26562

PolarSurfaceArea : 96.02

Druglikeness : -7.5615

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 7

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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