4-[methyl(octadecyl)amino]-3-nitrobenzene-1-sulfonic acid
Chemical Structure Depiction of
4-[methyl(octadecyl)amino]-3-nitrobenzene-1-sulfonic acid
4-[methyl(octadecyl)amino]-3-nitrobenzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 8005-4391 |
| Compound Name: | 4-[methyl(octadecyl)amino]-3-nitrobenzene-1-sulfonic acid |
| Molecular Weight: | 484.7 |
| Molecular Formula: | C25 H44 N2 O5 S |
| Smiles: | CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1[N+]([O-])=O)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0804 |
| logD: | -6.6195 |
| logSw: | -5.7938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.637 |
| InChI Key: | MDZQBLGIGXDXMG-UHFFFAOYSA-N |