2,3-bis(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C21H13N4Cl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2,3-bis(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 2,3-bis(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C21H13N4Cl2 |
| Smiles | Clc(cc1)ccc1-c([nH]c1nc2ccccc2nc11)[n+]1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H12Cl2N4/c22-14-7-5-13(6-8-14)20-26-19-21(25-18-4-2-1-3-17(18)24-19)27(20)16-11-9-15(23)10-12-16/h1-12H/p+1 |
| InChIK | FBOBPJHLCCIAPC-UHFFFAOYSA-O |
| TotalMolweight | 392.268 |
| Molweight | 392.268 |
| MonoisotopicMass | 391.051725 |
| CLogP | 4.7789 |
| CLogS | -10.229 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.21 |
| Relative PSA | 0.13957 |
| PolarSurfaceArea | 45.45 |
| Druglikeness | -0.84083 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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