2-(4-bromophenyl)-3-cyclohexyl-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C21H20N4Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-3-cyclohexyl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 2-(4-bromophenyl)-3-cyclohexyl-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C21H20N4Br |
| Smiles | Brc(cc1)ccc1-c1[n+](C2CCCCC2)c2nc3ccccc3nc2[nH]1 |
| InChI | InChI=1S/C21H19BrN4/c22-15-12-10-14(11-13-15)20-25-19-21(26(20)16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23-19/h4-5,8-13,16H,1-3,6-7H2/p+1 |
| InChIK | AURGIJXUUQUGMZ-UHFFFAOYSA-O |
| TotalMolweight | 408.322 |
| Molweight | 408.322 |
| MonoisotopicMass | 407.087132 |
| CLogP | 1.551 |
| CLogS | -6.781 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.04 |
| Relative PSA | 0.1417 |
| PolarSurfaceArea | 45.45 |
| Druglikeness | -7.4432 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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