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C19H22N2F 1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium | Chemryt

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

Molecular Formula : C19H22N2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C19H22N2F

Smiles : Fc(cccc1)c1N1CC[NH+](C/C=C/c2ccccc2)CC1

InChI : InChI=1S/C19H21FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/p+1

InChIK : WCXGEYWLFOPIDP-UHFFFAOYSA-O

TotalMolweight : 297.396

Molweight : 297.396

MonoisotopicMass : 297.176701

CLogP : 1.6084

CLogS : -3.375

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 255.81

Relative PSA : 0.082639

PolarSurfaceArea : 7.68

Druglikeness : 0.26044

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

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

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