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C20H22N3O3Cl 2-[2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate | Chemryt

2-[2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate

Molecular Formula : C20H22N3O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2-[2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate

MolecularFormula : C20H22N3O3Cl

Smiles : [O-]C(COc1c(/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)cccc1)=O

InChI : InChI=1S/C20H22ClN3O3/c21-18-7-3-1-6-17(18)14-23-9-11-24(12-10-23)22-13-16-5-2-4-8-19(16)27-15-20(25)26/h1-8,13H,9-12,14-15H2,(H,25,26)

InChIK : DVKHZXVWGLNOBV-UHFFFAOYSA-N

TotalMolweight : 387.866

Molweight : 387.866

MonoisotopicMass : 387.134969

CLogP : -0.1859

CLogS : -3.185

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 312.18

Relative PSA : 0.22413

PolarSurfaceArea : 69.4

Druglikeness : 3.6225

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

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