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C24H25N3OCl | Cheminformatics
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(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine

Molecular Formula : C24H25N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.

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

MolecularFormula : C24H25N3OCl

Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c2cc(Oc3ccccc3)ccc2)cccc1

InChI : InChI=1S/C24H24ClN3O/c25-24-12-5-4-8-21(24)19-27-13-15-28(16-14-27)26-18-20-7-6-11-23(17-20)29-22-9-2-1-3-10-22/h1-12,17-18H,13-16,19H2/p+1

InChIK : PYRLZHYFPZPDCN-UHFFFAOYSA-O

TotalMolweight : 406.936

Molweight : 406.936

MonoisotopicMass : 406.168614

CLogP : 2.9109

CLogS : -5.689

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 332.9

Relative PSA : 0.12812

PolarSurfaceArea : 29.27

Druglikeness : 3.5958

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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