4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
Chemical Structure Depiction of
4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
Compound characteristics
| Compound ID: | 0099-0308 |
| Compound Name: | 4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one |
| Molecular Weight: | 478.09 |
| Molecular Formula: | C19 H10 Br2 O5 |
| Smiles: | C1=C(C(C(=C2C1=C(c1ccccc1)c1cc(c(c(c1O2)[Br])O)O)[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.0821 |
| logD: | -2.3628 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.159 |
| InChI Key: | UZECKVJCPLMMEL-UHFFFAOYSA-N |