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C17H20N4Cl | Cheminformatics

(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine

Molecular Formula : C17H20N4Cl | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C17H20N4Cl

Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c2ncccc2)cccc1

InChI : InChI=1S/C17H19ClN4/c18-17-7-2-1-5-15(17)14-21-9-11-22(12-10-21)20-13-16-6-3-4-8-19-16/h1-8,13H,9-12,14H2/p+1

InChIK : QQFRYNCSSQTHOT-UHFFFAOYSA-O

TotalMolweight : 315.827

Molweight : 315.827

MonoisotopicMass : 315.137648

CLogP : 0.5684

CLogS : -2.621

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 261.9

Relative PSA : 0.16655

PolarSurfaceArea : 32.93

Druglikeness : 3.8411

Mutagenic : low

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine


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