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C26H25N3Cl | Cheminformatics
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(Z)-1-anthracen-9-yl-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Molecular Formula : C26H25N3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(Z)-1-anthracen-9-yl-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.

MolName : (Z)-1-anthracen-9-yl-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

MolecularFormula : C26H25N3Cl

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2c(cccc3)c3cc3ccccc23)cc1

InChI : InChI=1S/C26H24ClN3/c27-23-11-9-20(10-12-23)19-29-13-15-30(16-14-29)28-18-26-24-7-3-1-5-21(24)17-22-6-2-4-8-25(22)26/h1-12,17-18H,13-16,19H2/p+1

InChIK : HDVQHZQCZZKWRE-UHFFFAOYSA-O

TotalMolweight : 414.959

Molweight : 414.959

MonoisotopicMass : 414.173699

CLogP : 3.9041

CLogS : -6.604

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 332.34

Relative PSA : 0.098243

PolarSurfaceArea : 20.04

Druglikeness : 3.8411

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 7

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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