Base information
| Cat. No. | |
| CAS No. | 776242-98-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H18N6O12 |
| Molecular Weight | 618.465 |
| Exact Mass | 618.098 |
| XLogP3 | 3.5106 |
| Mr | 150.214 |
| PSA | 298.56 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 66 |
| Ring number | 4 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc(Nc2nc(nc(n2)Nc2cc(cc(c2)C(=O)O)C(=O)O)Nc2cc(cc(c2)C(=O)O)C(=O)O)cc(c1)C(=O)O |
