Base information
| Cat. No. | |
| CAS No. | 85561-96-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13ClN2NaO11PS2 |
| Molecular Weight | 562.828 |
| Exact Mass | 561.928 |
| XLogP3 | 4.8903 |
| Mr | 116.13 |
| PSA | 258.02 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(c(c1)P(=O)(O)O)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[NaH] |
