Emodin Anthrone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL122192 | |
| PubChem: | 122635 | |
| IUPAC: | 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one | |
| Standard InChI: | InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 | |
| Standard InChI Key: | LAJSXCAVRQXZIO-UHFFFAOYSA-N | |
| SMILES: | Cc1cc2Cc3cc(O)cc(c3C(=O)c2c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 2.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 256.07 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 15 | |