| MolName | 4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine |
| MolecularFormula | C25H21N5OCl |
| Smiles | Clc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=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 |
| InChIK | LPIAOHMSTUMCOJ-UHFFFAOYSA-O |
| TotalMolweight | 442.929 |
| Molweight | 442.929 |
| MonoisotopicMass | 442.143462 |
| CLogP | 3.8419 |
| CLogS | -9.596 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.63 |
| Relative PSA | 0.16142 |
| PolarSurfaceArea | 57.92 |
| Druglikeness | 1.2541 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine | 2 - 4-[4-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium-3-yl]phenyl]morpholine