1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C9H7N4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C9H7N4 |
| Smiles | c1[nH+]c2nc3ccccc3nc2[nH]1 |
| InChI | InChI=1S/C9H6N4/c1-2-4-7-6(3-1)12-8-9(13-7)11-5-10-8/h1-5H,(H,10,11,12,13)/p+1 |
| InChIK | FCTIZUUFUMDWEH-UHFFFAOYSA-O |
| TotalMolweight | 171.183 |
| Molweight | 171.183 |
| MonoisotopicMass | 171.067071 |
| CLogP | -0.7152 |
| CLogS | -3.323 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 117.34 |
| Relative PSA | 0.3062 |
| PolarSurfaceArea | 55.71 |
| Druglikeness | -1.5004 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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