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C16H20N3S (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine | Chemryt

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine

Molecular Formula : C16H20N3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine

MolecularFormula : C16H20N3S

Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccs1

InChI : InChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/p+1

InChIK : YVWDYPMRNJTENU-UHFFFAOYSA-O

TotalMolweight : 286.422

Molweight : 286.422

MonoisotopicMass : 286.137792

CLogP : 0.7759

CLogS : -2.666

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 243.66

Relative PSA : 0.21756

PolarSurfaceArea : 48.28

Druglikeness : 5.3922

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.7

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 4

Electronegative Atoms : 4

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

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