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| Duplicate ID | |
|---|---|
| Molecule Name | 4-(4-chlorophenyl)-2-(hexadecylthio)-6-(4-methylphenyl)nicotinonitrile |
| Smiles | CCCCCCCCCCCCCCCCSc1nc(cc(c1C#N)c1ccc(cc1)Cl)c1ccc(cc1)C |
| Cas Number | |
| InchiKey | RPVZINPCPZLVAS-UHFFFAOYSA-N |
| InChi | InChI=1S/C35H45ClN2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-39-35-33(27-37)32(29-21-23-31(36)24-22-29)26-34(38-35)30-19-17-28(2)18-20-30/h17-24,26H,3-16,25H2,1-2H3 |
| Formula | C35H45ClN2S |
| Molecular weight | 561.263 |
| Rings | 3 |
| logP | 11.8225 |
| PSA | 61.98 |
| MR | 173.626 |