Base information
| Cat. No. | |
| CAS No. | 7444-29-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H21N7O6 |
| Molecular Weight | 455.424 |
| Exact Mass | 455.155 |
| XLogP3 | -0.8143 |
| Mr | 126.162 |
| PSA | 196.58 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)[N+]1=CN2[C@@H](C1)CNc1c2c(=O)[nH]c(n1)N |
