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C24H25N3Cl | Cheminformatics
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(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine

Molecular Formula : C24H25N3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine is a drug-like molecule.

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

MolecularFormula : C24H25N3Cl

Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c(cc2)ccc2-c2ccccc2)cccc1

InChI : InChI=1S/C24H24ClN3/c25-24-9-5-4-8-23(24)19-27-14-16-28(17-15-27)26-18-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2/p+1

InChIK : XXQKTNITRKQVQE-UHFFFAOYSA-O

TotalMolweight : 390.937

Molweight : 390.937

MonoisotopicMass : 390.173699

CLogP : 3.1745

CLogS : -5.478

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 322.9

Relative PSA : 0.10111

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.67857

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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