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C18H19N3Cl2F | Cheminformatics

(Z)-1-(2-chloro-6-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C18H19N3Cl2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-1-(2-chloro-6-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C18H19N3Cl2F

Smiles : Fc1cccc(Cl)c1/C=N\N1CC[NH+](Cc(cc2)ccc2Cl)CC1

InChI : InChI=1S/C18H18Cl2FN3/c19-15-6-4-14(5-7-15)13-23-8-10-24(11-9-23)22-12-16-17(20)2-1-3-18(16)21/h1-7,12H,8-11,13H2/p+1

InChIK : GVNUBKCHTNUBND-UHFFFAOYSA-O

TotalMolweight : 367.274

Molweight : 367.274

MonoisotopicMass : 366.094004

CLogP : 2.2221

CLogS : -4.442

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 284.91

Relative PSA : 0.1146

PolarSurfaceArea : 20.04

Druglikeness : 2.5011

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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