6-[2-(5-bromo-2-hydroxy-3-methylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-[2-(5-bromo-2-hydroxy-3-methylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
6-[2-(5-bromo-2-hydroxy-3-methylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 5842-8656 |
| Compound Name: | 6-[2-(5-bromo-2-hydroxy-3-methylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 368.14 |
| Molecular Formula: | C13 H10 Br N3 O5 |
| Smiles: | Cc1cc(cc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.256 |
| logD: | -1.1408 |
| logSw: | -3.383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.924 |
| InChI Key: | OJONMIMHCSATCE-NSCUHMNNSA-N |