HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pro-4-norphalloin
Identifiers & Physical Properties
| CAS No. | 40290-20-8 |
|---|---|
| Molecular formula | C34H46N8O8S |
| Average molar mass | 726.8 g/mol |
| Monoisotopic mass | 726.31593163 g/mol |
| SMILES | CCCC1NC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)C(C(C)O)NC(=O)C(C)NC1=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N2 |
| InChIKey | GEZAJGFOPRFKLC-UHFFFAOYSA-N |
| PubChem CID | 198213 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 256 |
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 3 |
| Heavy atoms | 51 |
| Formal charge | 0 |
| Complexity | 1,370 |