8-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Formula:C12H6O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
8-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione is a drug-like molecule.
| MolName | 8-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione |
| MolecularFormula | C12H6O4 |
| Smiles | Oc(c1cccc(C(O2)=O)c11)ccc1C2=O |
| InChI | InChI=1S/C12H6O4/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5,13H |
| InChIK | BFKXHILYGIQGCB-UHFFFAOYSA-N |
| TotalMolweight | 214.176 |
| Molweight | 214.176 |
| MonoisotopicMass | 214.02661 |
| CLogP | 1.7329 |
| CLogS | -3.433 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 146.21 |
| Relative PSA | 0.33637 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -15.378 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | anhydride |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 8-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione | 2 - 8-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
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