HuagongsheHuagongshe Chemistry Print Report · For research reference only
3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one
Identifiers & Physical Properties
| CAS No. | 2538-60-5 |
|---|---|
| Molecular formula | C16H17NO |
| Average molar mass | 239.31 g/mol |
| Monoisotopic mass | 239.13101417 g/mol |
| SMILES | CC1=CCC2N=C(c3ccccc3)CC2(C)C1=O |
| InChIKey | PFVDLRROPRIHAT-UHFFFAOYSA-N |
| PubChem CID | 225613 |
| DTXSID | DTXSID30280055 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 29.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 428 |