1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]-9H-xanthen-9-one
Chemical Structure Depiction of
1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]-9H-xanthen-9-one
1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]-9H-xanthen-9-one
Compound characteristics
| Compound ID: | Y041-2309 |
| Compound Name: | 1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]-9H-xanthen-9-one |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C21 H13 N O7 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Oc1cc(c2C(c3ccccc3Oc2c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.1924 |
| logD: | 4.1923 |
| logSw: | -4.3487 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.603 |
| InChI Key: | YZJNSTNSIMRACX-UHFFFAOYSA-N |