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C20H23N3OCl N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide | Chemryt

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

Molecular Formula : C20H23N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C20H23N3OCl

Smiles : O=C(Nc1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C20H22ClN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/p+1

InChIK : IRJPVHSCLVFFMC-UHFFFAOYSA-O

TotalMolweight : 356.876

Molweight : 356.876

MonoisotopicMass : 356.152964

CLogP : 2.1128

CLogS : -3.92

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 294.09

Relative PSA : 0.15519

PolarSurfaceArea : 36.78

Druglikeness : 3.0673

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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