Reactive Blue 2
| SMILES | c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4ccc(c(c4)S(=O)(=O)[O-])Nc5nc(nc(n5)Cl)Nc6cccc(c6)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | VZPXDCIISFTYOM-UHFFFAOYSA-K |
Chemical properties
| Hydrogen bond acceptors | 18 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 839.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |