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

C25H27N3OCl | Cheminformatics

(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine

Molecular Formula : C25H27N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine

MolecularFormula : C25H27N3OCl

Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c2cc(OCc3ccccc3)ccc2)cccc1

InChI : InChI=1S/C25H26ClN3O/c26-25-12-5-4-10-23(25)19-28-13-15-29(16-14-28)27-18-22-9-6-11-24(17-22)30-20-21-7-2-1-3-8-21/h1-12,17-18H,13-16,19-20H2/p+1

InChIK : RDKROQLFNRIYMY-UHFFFAOYSA-O

TotalMolweight : 420.962

Molweight : 420.962

MonoisotopicMass : 420.184264

CLogP : 2.8634

CLogS : -4.733

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 346.66

Relative PSA : 0.12303

PolarSurfaceArea : 29.27

Druglikeness : 3.2955

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 9

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine


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