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C18H20N3BrF (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine

Molecular Formula : C18H20N3BrF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine

MolecularFormula : C18H20N3BrF

Smiles : Fc(cc1)c(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1Br

InChI : InChI=1S/C18H19BrFN3/c19-17-6-7-18(20)16(12-17)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1

InChIK : TZLWFTIOHJWNHS-UHFFFAOYSA-O

TotalMolweight : 377.28

Molweight : 377.28

MonoisotopicMass : 376.082461

CLogP : 1.7353

CLogS : -3.804

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 272.7

Relative PSA : 0.11973

PolarSurfaceArea : 20.04

Druglikeness : 0.71978

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65217

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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