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C19H21N3O2Cl 1-(4-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium | Chemryt

1-(4-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium

Molecular Formula : C19H21N3O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C19H21N3O2Cl

Smiles : [O-][N+](c1c(/C=C/C[NH+](CC2)CCN2c(cc2)ccc2Cl)cccc1)=O

InChI : InChI=1S/C19H20ClN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/p+1

InChIK : JQFICDCEDFRQTJ-UHFFFAOYSA-O

TotalMolweight : 358.848

Molweight : 358.848

MonoisotopicMass : 358.132229

CLogP : 2.5068

CLogS : -4.257

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 288.55

Relative PSA : 0.17869

PolarSurfaceArea : 53.5

Druglikeness : -3.2307

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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