2-(3-chlorophenyl)-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C20H14N4OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenyl)-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 2-(3-chlorophenyl)-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C20H14N4OCl |
| Smiles | Clc1cc(-c2[n+](Cc3ccco3)c3nc4ccccc4nc3[nH]2)ccc1 |
| InChI | InChI=1S/C20H13ClN4O/c21-14-6-3-5-13(11-14)19-24-18-20(25(19)12-15-7-4-10-26-15)23-17-9-2-1-8-16(17)22-18/h1-11H,12H2/p+1 |
| InChIK | SMSGQEKNPSAXOZ-UHFFFAOYSA-O |
| TotalMolweight | 361.811 |
| Molweight | 361.811 |
| MonoisotopicMass | 361.085613 |
| CLogP | 0.1342 |
| CLogS | -6.339 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.24 |
| Relative PSA | 0.19906 |
| PolarSurfaceArea | 58.59 |
| Druglikeness | -0.3181 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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