Base information
| Cat. No. | |
| CAS No. | 144650-95-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N5NaO9S3 |
| Molecular Weight | 541.511 |
| Exact Mass | 541.001 |
| XLogP3 | 1.5014 |
| Mr | 116.816 |
| PSA | 253.91 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 51 |
| Ring number | 2 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | [Na]N=[N+]=Nc1ccc(c(c1)O)C(=O)NCCSSCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-] |
