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| Duplicate ID | |
|---|---|
| Molecule Name | N,N'-[pyrimidine-2,4-diylbis(4,1-phenylene)]bis(4-nitrobenzamide) |
| Smiles | O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)c1ccnc(n1)c1ccc(cc1)NC(=O)c1ccc(cc1)[N+](=O)[O-] |
| Cas Number | |
| InchiKey | IQCAUPXMVUIIPD-UHFFFAOYSA-N |
| InChi | InChI=1S/C30H20N6O6/c37-29(21-5-13-25(14-6-21)35(39)40)32-23-9-1-19(2-10-23)27-17-18-31-28(34-27)20-3-11-24(12-4-20)33-30(38)22-7-15-26(16-8-22)36(41)42/h1-18H,(H,32,37)(H,33,38) |
| Formula | C30H20N6O6 |
| Molecular weight | 560.516 |
| Rings | 5 |
| logP | 7.324 |
| PSA | 175.62 |
| MR | 158.976 |