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| Duplicate ID | |
|---|---|
| CAS Number | 353245-38-2 |
| Molecule Name | 10,12-dioxo-5-(trifluoromethyl)-1lambda5,8,11,13-tetraazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(16),2,4,6,8-pentaen-1-ylium chloride |
| 4,6-Dioxo-9-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-benzo[g]imidazo[1,2,3-ij]pteridin-12-ium chloride | |
| 4,6-Dioxo-9-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-benzo[g]imidazo[1,2,3-ij]pteridin-12-ium chloride | |
| Smiles | [Cl-].O=C1NC(=O)c2[n]c3cc(ccc3[n+]3CCN1c32)C(F)(F)F |
| InchiKey | QCVXRRWTLYFMPS-UHFFFAOYSA-N |
| InChi | InChI=1S/C13H7F3N4O2.ClH/c14-13(15,16)6-1-2-8-7(5-6)17-9-10(21)18-12(22)20-4-3-19(8)11(9)20;/h1-2,5H,3-4H2;1H |
| Formula | C13H8ClF3N4O2 |
| Molecular weight | 344.676 |
| Rings | 4 |
| logP | -2.4381 |
| PSA | 71.63 |
| MR | 77.7237 |