3-(4-bromophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C19H12N4OBr
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C19H12N4OBr |
| Smiles | Brc(cc1)ccc1-[n+]1c(-c2ccco2)[nH]c2nc3ccccc3nc12 |
| InChI | InChI=1S/C19H11BrN4O/c20-12-7-9-13(10-8-12)24-18(16-6-3-11-25-16)23-17-19(24)22-15-5-2-1-4-14(15)21-17/h1-11H/p+1 |
| InChIK | WLDPXOITCHSJMH-UHFFFAOYSA-O |
| TotalMolweight | 392.235 |
| Molweight | 392.235 |
| MonoisotopicMass | 391.019447 |
| CLogP | 3.5178 |
| CLogS | -8.941 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.69 |
| Relative PSA | 0.20731 |
| PolarSurfaceArea | 58.59 |
| Druglikeness | -2.2242 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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