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C17H21N4 | Cheminformatics

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine

Molecular Formula : C17H21N4 | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine

MolecularFormula : C17H21N4

Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1ncccc1

InChI : InChI=1S/C17H20N4/c1-2-6-16(7-3-1)15-20-10-12-21(13-11-20)19-14-17-8-4-5-9-18-17/h1-9,14H,10-13,15H2/p+1

InChIK : HEPIOLOMARTNIC-UHFFFAOYSA-O

TotalMolweight : 281.382

Molweight : 281.382

MonoisotopicMass : 281.176621

CLogP : -0.0376

CLogS : -1.885

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 246.48

Relative PSA : 0.17697

PolarSurfaceArea : 32.93

Druglikeness : 3.8498

Mutagenic : low

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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