Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C18H20N3Cl2 | Cheminformatics

(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine

Molecular Formula : C18H20N3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine

MolecularFormula : C18H20N3Cl2

Smiles : Clc(ccc(/C=N\N1CC[NH+](Cc2ccccc2)CC1)c1)c1Cl

InChI : InChI=1S/C18H19Cl2N3/c19-17-7-6-16(12-18(17)20)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1

InChIK : VPLQVVWFZJGKDT-UHFFFAOYSA-O

TotalMolweight : 349.284

Molweight : 349.284

MonoisotopicMass : 348.103426

CLogP : 2.1213

CLogS : -4.128

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 278.56

Relative PSA : 0.11721

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.69565

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 5

Electronegative Atoms : 5

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 :

Request More Details | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments