Mol Weight - 240.214
Smiles - Oc(cccc1C(c2c3cccc2O)=O)c1C3=O
| Property Name | Property Value |
| Mol Name | 1,5-Dihydroxyanthraquinone |
| Molweight | 240.214 |
| Monoisotopic Mass | 240.04226 |
| Clogp | 2.342 |
| Clogs | -4.138 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 167.72 |
| Relative Psa | 0.31171 |
| Polar Surface Area | 74.6 |
| Druglikeness | -1.0702 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.44444 |
| Molecular Flexibility | 0.16637 |
| Molecular Complexity | 0.85805 |
| Fragments | 1 |
| Non H Atoms | 18 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 9 |
| Smiles | Oc(cccc1C(c2c3cccc2O)=O)c1C3=O |
| InChIKey | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| InChI | JPICKYUTICNNNJ-UHFFFAOYSA-N |
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1 — 1,5-Dihydroxyanthraquinone | 2 — 1,5-Dihydroxyanthraquinone