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C18H19N4O2Cl2 (Z)-1-(2-chloro-5-nitrophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine | Chemryt

(Z)-1-(2-chloro-5-nitrophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C18H19N4O2Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-1-(2-chloro-5-nitrophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C18H19N4O2Cl2

Smiles : [O-][N+](c(cc1)cc(/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)c1Cl)=O

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

InChIK : OGEGDFFXYOXCRF-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 : 0.61538

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 : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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