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| Duplicate ID | |
|---|---|
| CAS Number | 114853-42-8 |
| Molecule Name | 10,12-dioxo-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-2,4,5,6-tetrahydro-1H-benzo[g]imidazo[1,2,3-ij]pteridin-12-ium chloride | |
| 4,6-Dioxo-2,4,5,6-tetrahydro-1H-benzo[g]imidazo-[1,2,3-ij]pteridin-12-ium chloride | |
| 4,6-Dioxo-2,4,5,6-tetrahydro-1H-benzo[g]imidazo-[1,2,3-ij]pteridin-12-ium chloride | |
| Smiles | [Cl-].O=C1NC(=O)c2[n]c3ccccc3[n+]3CCN1c32 |
| InchiKey | UKQDCOMWRMLNKZ-UHFFFAOYSA-N |
| InChi | InChI=1S/C12H8N4O2.ClH/c17-10-9-11-15(5-6-16(11)12(18)14-10)8-4-2-1-3-7(8)13-9;/h1-4H,5-6H2;1H |
| Formula | C12H9ClN4O2 |
| Molecular weight | 276.678 |
| Rings | 4 |
| logP | -3.4569 |
| PSA | 71.63 |
| MR | 72.7217 |