1,10-dihydroxy-11-oxahexacyclo[5.5.1.02,6.03,10.04,8.09,13]tridecan-12-one
Formula:C12H12O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,10-dihydroxy-11-oxahexacyclo[5.5.1.02,6.03,10.04,8.09,13]tridecan-12-one is a drug-like molecule.
| MolName | 1,10-dihydroxy-11-oxahexacyclo[5.5.1.02,6.03,10.04,8.09,13]tridecan-12-one |
| MolecularFormula | C12H12O4 |
| Smiles | OC(C1C2C3C4CC5C13)(C5C4C2(O)O1)C1=O |
| InChI | InChI=1S/C12H12O4/c13-10-11(14)6-2-1-3-5-4(2)8(11)9(5)12(15,16-10)7(3)6/h2-9,14-15H,1H2 |
| InChIK | PVUNXGZGOPZQLW-UHFFFAOYSA-N |
| TotalMolweight | 220.223 |
| Molweight | 220.223 |
| MonoisotopicMass | 220.07356 |
| CLogP | -0.6561 |
| CLogS | -1.914 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 107.53 |
| Relative PSA | 0.45792 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 0.6405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.375 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 10 |
| Rings Closures | 6 |
| Small Rings | 16 |
| Sp3Atoms | 14 |
| StereoCon | unknown chirality |
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1 - 1,10-dihydroxy-11-oxahexacyclo[5.5.1.02,6.03,10.04,8.09,13]tridecan-12-one | 2 - 1,10-dihydroxy-11-oxahexacyclo[5.5.1.02,6.03,10.04,8.09,13]tridecan-12-one
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