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C18H21N3F (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)methanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)methanimine

Molecular Formula : C18H21N3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)methanimine

MolecularFormula : C18H21N3F

Smiles : Fc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1

InChI : InChI=1S/C18H20FN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1

InChIK : XQWPPFJWBZMAGP-UHFFFAOYSA-O

TotalMolweight : 298.384

Molweight : 298.384

MonoisotopicMass : 298.17195

CLogP : 1.0101

CLogS : -2.97

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 254.07

Relative PSA : 0.12851

PolarSurfaceArea : 20.04

Druglikeness : 2.5098

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.72727

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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