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Duplicate ID | |
---|---|
Molecule Name | 2-hydroxy-5-nitro-N-[2-(octadecylthio)ethyl]benzamide |
Smiles | CCCCCCCCCCCCCCCCCCSCCNC(=O)c1cc(ccc1O)[N+](=O)[O-] |
Cas Number | |
InchiKey | XFJGJDLLQMPMOQ-UHFFFAOYSA-N |
InChi | InChI=1S/C27H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-27(31)25-23-24(29(32)33)18-19-26(25)30/h18-19,23,30H,2-17,20-22H2,1H3,(H,28,31) |
Formula | C27H46N2O4S |
Molecular weight | 494.73 |
Rings | 1 |
logP | 8.939 |
PSA | 120.45 |
MR | 149.207 |