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Duplicate ID | |
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Molecule Name | 4nitroN~1~[2(octadecylsulfanyl)ethyl]benzamide |
4-nitro-N-[2-(octadecylthio)ethyl]benzamide | |
Smiles | CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccc(cc1)[N+](=O)[O-] |
Cas Number | |
InchiKey | HMPBZUYLHNXIDF-UHFFFAOYSA-N |
InChi | InChI=1S/C27H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-24-22-28-27(30)25-18-20-26(21-19-25)29(31)32/h18-21H,2-17,22-24H2,1H3,(H,28,30) |
Formula | C27H46N2O3S |
Molecular weight | 478.731 |
Rings | 1 |
logP | 9.2334 |
PSA | 100.22 |
MR | 147.184 |