octyl 3-nitrotyrosinate--4-methylbenzene-1-sulfonic acid (1/1)
Chemical Structure Depiction of
octyl 3-nitrotyrosinate--4-methylbenzene-1-sulfonic acid (1/1)
octyl 3-nitrotyrosinate--4-methylbenzene-1-sulfonic acid (1/1)
Compound characteristics
| Compound ID: | 3063-0110 |
| Compound Name: | octyl 3-nitrotyrosinate--4-methylbenzene-1-sulfonic acid (1/1) |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C17 H26 N2 O5 |
| Salt: | p-CH3C6H4SO3H |
| Smiles: | CCCCCCCCOC(C(Cc1ccc(c(c1)[N+]([O-])=O)O)N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3677 |
| logD: | 4.3677 |
| logSw: | -4.19 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.704 |
| InChI Key: | ZIEJDWACCIGWMP-AWEZNQCLSA-N |