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C16H19N3ClS | Cheminformatics

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine

Molecular Formula : C16H19N3ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine

MolecularFormula : C16H19N3ClS

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cccs2)cc1

InChI : InChI=1S/C16H18ClN3S/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/p+1

InChIK : PLIADARKKRSWPG-UHFFFAOYSA-O

TotalMolweight : 320.867

Molweight : 320.867

MonoisotopicMass : 320.098819

CLogP : 1.3819

CLogS : -3.402

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 259.08

Relative PSA : 0.20461

PolarSurfaceArea : 48.28

Druglikeness : 5.4127

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine


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