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MolName : (Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C18H19N4O2Cl2

Smiles : [O-][N+](c(cc(/C=N\N1CC[NH+](Cc(cc2)ccc2Cl)CC1)cc1)c1Cl)=O

InChI : InChI=1S/C18H18Cl2N4O2/c19-16-4-1-14(2-5-16)13-22-7-9-23(10-8-22)21-12-15-3-6-17(20)18(11-15)24(25)26/h1-6,11-12H,7-10,13H2/p+1

InChIK : JDXQJIBNORCLCN-UHFFFAOYSA-O

TotalMolweight : 394.281

Molweight : 394.281

MonoisotopicMass : 393.088505

CLogP : 2.5145

CLogS : -4.588

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 302.23

Relative PSA : 0.20868

PolarSurfaceArea : 65.86

Druglikeness : -1.0785

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

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

StereoCon :