2-(4-bromophenyl)-3-cyclopentyl-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C20H18N4Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-3-cyclopentyl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 2-(4-bromophenyl)-3-cyclopentyl-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C20H18N4Br |
| Smiles | Brc(cc1)ccc1-c1[n+](C2CCCC2)c2nc3ccccc3nc2[nH]1 |
| InChI | InChI=1S/C20H17BrN4/c21-14-11-9-13(10-12-14)19-24-18-20(25(19)15-5-1-2-6-15)23-17-8-4-3-7-16(17)22-18/h3-4,7-12,15H,1-2,5-6H2/p+1 |
| InChIK | SZUQKHWVLVEMQC-UHFFFAOYSA-O |
| TotalMolweight | 394.295 |
| Molweight | 394.295 |
| MonoisotopicMass | 393.071482 |
| CLogP | 1.209 |
| CLogS | -6.511 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.28 |
| Relative PSA | 0.14922 |
| PolarSurfaceArea | 45.45 |
| Druglikeness | -4.7582 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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