HuagongsheHuagongshe Chemistry Print Report · For research reference only
SC-Ntr
SC-NTR
Identifiers & Physical Properties
| CAS No. | 155833-00-4 |
|---|---|
| Molecular formula | C18H14N2Na2O8S2 |
| Average molar mass | 496.4 g/mol |
| Monoisotopic mass | 495.99869632 g/mol |
| SMILES | COc1c(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc(C)cc1S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PKJPBFCLFVBTER-LLIZZRELSA-N |
| PubChem CID | 190818 |
Chemical & Physical Properties
| Topological polar surface area | 185 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 3 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 809 |