3-(2,4-dichlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C19H11N4OCl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C19H11N4OCl2 |
| Smiles | Clc(cc1)cc(Cl)c1-[n+]1c(-c2ccco2)[nH]c2nc3ccccc3nc12 |
| InChI | InChI=1S/C19H10Cl2N4O/c20-11-7-8-15(12(21)10-11)25-18(16-6-3-9-26-16)24-17-19(25)23-14-5-2-1-4-13(14)22-17/h1-10H/p+1 |
| InChIK | PUVINWYWZBNZGJ-UHFFFAOYSA-O |
| TotalMolweight | 382.229 |
| Molweight | 382.229 |
| MonoisotopicMass | 381.03099 |
| CLogP | 4.0046 |
| CLogS | -9.579 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.9 |
| Relative PSA | 0.19783 |
| PolarSurfaceArea | 58.59 |
| Druglikeness | -0.3181 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-(2,4-dichlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium | 2 - 3-(2,4-dichlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxalin-3-ium
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