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(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Formula:C28H33N4OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is not a drug-like molecule.
MolName(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
MolecularFormulaC28H33N4OCl2
SmilesClc1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)cc1
InChIInChI=1S/C28H32Cl2N4O/c29-26-9-5-22(6-10-26)19-23-7-8-24(28(23)33-15-17-35-18-16-33)20-31-34-13-11-32(12-14-34)21-25-3-1-2-4-27(25)30/h1-6,9-10,19-20H,7-8,11-18,21H2/p+1
InChIKOKAMUZXZDNGDNC-UHFFFAOYSA-O
TotalMolweight512.503
Molweight512.503
MonoisotopicMass511.20314
CLogP2.7008
CLogS-4.694
H Acceptors5
H Donors1
TotalSurfaceArea402.05
Relative PSA0.11491
PolarSurfaceArea32.51
Druglikeness3.2431
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Symmetricatoms6
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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