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C16H19N3BrS (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine | Chemryt

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

Molecular Formula : C16H19N3BrS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C16H19N3BrS

Smiles : Brc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)s1

InChI : InChI=1S/C16H18BrN3S/c17-16-7-6-15(21-16)12-18-20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1

InChIK : XPJACMKDJCDBAU-UHFFFAOYSA-O

TotalMolweight : 365.318

Molweight : 365.318

MonoisotopicMass : 364.048303

CLogP : 1.7058

CLogS : -3.517

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 262.29

Relative PSA : 0.2021

PolarSurfaceArea : 48.28

Druglikeness : 1.6629

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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