Chemical Name - Diacerein
Mol Weight - 368.296
Smiles - CC(Oc(cccc1C(c2cc(C(O)=O)cc(OC(C)=O)c22)=O)c1C2=O)=O
Mol Weight - 368.296
Smiles - CC(Oc(cccc1C(c2cc(C(O)=O)cc(OC(C)=O)c22)=O)c1C2=O)=O
| Property Value | |
| Mol Name | Diacerein |
| Molweight | 368.296 |
| Monoisotopic Mass | 368.05322 |
| Clogp | 2.4919 |
| Clogs | -5.343 |
| H Acceptors | 8 |
| H Donors | 1 |
| Total Surface Area | 259.14 |
| Relative Psa | 0.37933 |
| Polar Surface Area | 124.04 |
| Druglikeness | -1.0845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.44444 |
| Molecular Flexibility | 0.30798 |
| Molecular Complexity | 0.92351 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bonds | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 5 |
| Acidic Oxygens | 1 |
| Smiles | CC(Oc(cccc1C(c2cc(C(O)=O)cc(OC(C)=O)c22)=O)c1C2=O)=O |
| InChIKey | |
| InChI | C19H12O8 |
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