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C18H21N4O2 (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine

Molecular Formula : C18H21N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine

MolecularFormula : C18H21N4O2

Smiles : [O-][N+](c1cc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)ccc1)=O

InChI : InChI=1S/C18H20N4O2/c23-22(24)18-8-4-7-17(13-18)14-19-21-11-9-20(10-12-21)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1

InChIK : QWELUNSDRGPVIX-UHFFFAOYSA-O

TotalMolweight : 325.391

Molweight : 325.391

MonoisotopicMass : 325.166451

CLogP : 1.3025

CLogS : -3.116

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 271.39

Relative PSA : 0.2324

PolarSurfaceArea : 65.86

Druglikeness : -1.0803

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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