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C20H23N3OF N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide | Chemryt

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

Molecular Formula : C20H23N3OF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C20H23N3OF

Smiles : O=C(Nc(cc1)ccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C20H22FN3O/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,25)/p+1

InChIK : VKJMTDRGVCGQAB-UHFFFAOYSA-O

TotalMolweight : 340.421

Molweight : 340.421

MonoisotopicMass : 340.182515

CLogP : 1.6076

CLogS : -3.498

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 285.02

Relative PSA : 0.16013

PolarSurfaceArea : 36.78

Druglikeness : 1.6689

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.72

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 : 6

Amides : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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