Base information
| Cat. No. | |
| CAS No. | 84581-15-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C34H31N4Na3O7 |
| Molecular Weight | 676.602 |
| Exact Mass | 676.189 |
| XLogP3 | -1.0988 |
| Mr | 174.157 |
| PSA | 193.76 |
| Sequence | - |
| Atom number | 79 |
| Bond number | 80 |
| Ring number | 5 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=CC1=C(CC)/C/2=C/c3[nH]c(c(c3C)C(=O)[O-])/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(C=C)c4C)[C@@H](C)[C@@H]3CCC(=O)[O-])/CC(=O)[O-].[Na+].[Na+].[Na+] |
