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| Duplicate ID | |
|---|---|
| Molecule Name | 2-(hexadecylthio)-4,6-diphenylnicotinonitrile |
| Smiles | CCCCCCCCCCCCCCCCSc1nc(cc(c1C#N)c1ccccc1)c1ccccc1 |
| Cas Number | |
| InchiKey | SRHLZZNVBARSFG-UHFFFAOYSA-N |
| InChi | InChI=1S/C34H44N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-37-34-32(28-35)31(29-22-17-15-18-23-29)27-33(36-34)30-24-19-16-20-25-30/h15-20,22-25,27H,2-14,21,26H2,1H3 |
| Formula | C34H44N2S |
| Molecular weight | 512.792 |
| Rings | 3 |
| logP | 10.8607 |
| PSA | 61.98 |
| MR | 163.65 |