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C16H19N3OCl (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine | Chemryt

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine

Molecular Formula : C16H19N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine

MolecularFormula : C16H19N3OCl

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2ccco2)cc1

InChI : InChI=1S/C16H18ClN3O/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/p+1

InChIK : RXWGSSPLWHKDPQ-UHFFFAOYSA-O

TotalMolweight : 304.8

Molweight : 304.8

MonoisotopicMass : 304.121664

CLogP : 0.704

CLogS : -3.074

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 252.83

Relative PSA : 0.18495

PolarSurfaceArea : 33.18

Druglikeness : 3.4616

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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