HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 163963513
Identifiers & Physical Properties
| Molecular formula | C60H34ClN2O2- |
|---|---|
| Average molar mass | 850.4 g/mol |
| SMILES | C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)[Cl-]C6=C5C=C(C=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)C=CC(=C3)C1=CC2=C(C=C1)OC1=CC=CC=C12 |
| InChIKey | LSJXEQNJGQONRY-UHFFFAOYSA-N |
| PubChem CID | 163963513 |
Chemical & Physical Properties
| XLogP | 16.7 |
|---|---|
| Topological polar surface area | 36.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 65 |
| Formal charge | -1 |
| Complexity | 1,590 |