1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL443640 | |
| PubChem: | 24867638 | |
| IUPAC: | 1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3 | |
| Standard InChI Key: | RJOOIZGQOJJWMS-UHFFFAOYSA-N | |
| SMILES: | CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O | |
Molecular propeties
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| AlogP: | 2.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 256.07 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 15 | |