N-hexanoyl-O-methyl-3-nitrotyrosine
Chemical Structure Depiction of
N-hexanoyl-O-methyl-3-nitrotyrosine
N-hexanoyl-O-methyl-3-nitrotyrosine
Compound characteristics
| Compound ID: | 3063-0137 |
| Compound Name: | N-hexanoyl-O-methyl-3-nitrotyrosine |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C16 H22 N2 O6 |
| Smiles: | CCCCCC(NC(Cc1ccc(c(c1)[N+]([O-])=O)OC)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3092 |
| logD: | -2.2814 |
| logSw: | -2.227 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.459 |
| InChI Key: | DAVXMXLIODKZFR-LBPRGKRZSA-N |