4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine

Formula:C25H21N5OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine is a drug-like molecule.

MolName4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine
MolecularFormulaC25H21N5OCl
SmilesClc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c(cc1)ccc1N1CCOCC1
InChIInChI=1S/C25H20ClN5O/c26-18-7-5-17(6-8-18)24-29-23-25(28-22-4-2-1-3-21(22)27-23)31(24)20-11-9-19(10-12-20)30-13-15-32-16-14-30/h1-12H,13-16H2/p+1
InChIKLPIAOHMSTUMCOJ-UHFFFAOYSA-O
TotalMolweight442.929
Molweight442.929
MonoisotopicMass442.143462
CLogP3.8419
CLogS-9.596
H Acceptors6
H Donors1
TotalSurfaceArea323.63
Relative PSA0.16142
PolarSurfaceArea57.92
Druglikeness1.2541
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstert. immonium
Shape Index0.46875
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms5
Symmetricatoms6
Amines1
Aromatic Amines1
Aromatic Nitrogens4
StereoCon

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