HuagongsheHuagongshe Chemistry Print Report · For research reference only
(-)-Belarine
Identifiers & Physical Properties
| CAS No. | 35471-06-8 |
|---|---|
| Molecular formula | C37H40N2O6 |
| Average molar mass | 608.7 g/mol |
| Monoisotopic mass | 608.288637 g/mol |
| SMILES | COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(cc3CCN1C)Oc1c(O)c(OC)cc3c1C(C2)N(C)CC3 |
| InChIKey | XHVRQOOXGBHNFA-UHFFFAOYSA-N |
| PubChem CID | 435708 |
| DTXSID | DTXSID00331144 |
Chemical & Physical Properties
| XLogP | 6.3 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 3 |
| Heavy atoms | 45 |
| Formal charge | 0 |
| Complexity | 963 |