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C19H20N3ClF3 | Cheminformatics
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(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine

Molecular Formula : C19H20N3ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.

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

MolecularFormula : C19H20N3ClF3

Smiles : FC(c1c(/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)cccc1)(F)F

InChI : InChI=1S/C19H19ClF3N3/c20-18-8-4-2-6-16(18)14-25-9-11-26(12-10-25)24-13-15-5-1-3-7-17(15)19(21,22)23/h1-8,13H,9-12,14H2/p+1

InChIK : RKVOPXLPFFUWDS-UHFFFAOYSA-O

TotalMolweight : 382.836

Molweight : 382.836

MonoisotopicMass : 382.129783

CLogP : 2.3636

CLogS : -4.17

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 292.6

Relative PSA : 0.11159

PolarSurfaceArea : 20.04

Druglikeness : -3.3489

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.57692

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

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