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C17H18N5Cl2S | Cheminformatics

(Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C17H18N5Cl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C17H18N5Cl2S

Smiles : Clc1c(/C=N\N2CC[NH+](Cc(cc3)ccc3Cl)CC2)n(ccs2)c2n1

InChI : InChI=1S/C17H17Cl2N5S/c18-14-3-1-13(2-4-14)12-22-5-7-23(8-6-22)20-11-15-16(19)21-17-24(15)9-10-25-17/h1-4,9-11H,5-8,12H2/p+1

InChIK : VOKGPRNEVKMJNV-UHFFFAOYSA-O

TotalMolweight : 395.337

Molweight : 395.337

MonoisotopicMass : 394.065994

CLogP : 1.3459

CLogS : -2.666

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 298.51

Relative PSA : 0.24096

PolarSurfaceArea : 65.58

Druglikeness : 4.9232

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 14

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

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