Base information
| Cat. No. | |
| CAS No. | 79809-27-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H25ClN7NaO16S5 |
| Molecular Weight | 970.335 |
| Exact Mass | 968.955 |
| XLogP3 | 10.4353 |
| Mr | 211.788 |
| PSA | 410.43 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 90 |
| Ring number | 6 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(nc(n1)Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O)S(=O)(=O)O.[NaH] |
