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IUPACoxidane
| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | H2O | — | pubchem |
| Molecular weight | 18.02 | g/mol | chembl |
| 18.015 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| Boiling point | 212 °F at 760 mmHg | — | pubchem |
| Density | 1 | — | pubchem |
| LogP (experimental) | -1.38 | — | pubchem |
| Melting point | 32 °F | — | pubchem |
| Vapor pressure | 23.75 [mmHg] | — | pubchem |
| Water solubility | Completely miscible | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | -0.82 | — | chembl |
| XLogP | -0.5 | — | pubchem |
| MolLogP (Crippen) | -0.825 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 0 | — | chembl |
| 1 | — | pubchem | |
| H-bond donors | 0 | — | chembl |
| 1 | — | pubchem | |
| Lipinski violations | 0 | — | chembl |
| 0 | — | rdkit | |
| Passes rule of 3 | Y | — | chembl |
| Rotatable bonds | 0 | — | chembl |
| 0 | — | pubchem | |
| Polar surface area (TPSA) | 31.50 | Ų | chembl |
| 1 | Ų | pubchem | |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.328 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 0 | — | pubchem |
| Heavy atom count | 1 | — | pubchem |
| Molar refractivity | 3.61 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 6.85 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 0 | — | rdkit |
| Heteroatoms | 1 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Maximum clinical phase | 4.0 | — | chembl |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Hidrocarburo | — | rdkit |