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IUPAC(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | C20H32O2 | — | pubchem |
| Molecular weight | 304.47 | g/mol | chembl |
| 304.5 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| LogP (experimental) | 6.98 | — | pubchem |
| Vapor pressure | 0.00000015 [mmHg] | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | 6.22 | — | chembl |
| XLogP | 6.3 | — | pubchem |
| MolLogP (Crippen) | 6.217 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 1 | — | chembl |
| 2 | — | pubchem | |
| H-bond donors | 1 | — | chembl |
| 1 | — | pubchem | |
| Lipinski violations | 1 | — | chembl |
| 1 | — | rdkit | |
| Passes rule of 3 | N | — | chembl |
| Rotatable bonds | 14 | — | chembl |
| 14 | — | pubchem | |
| Polar surface area (TPSA) | 37.30 | Ų | chembl |
| 37.3 | Ų | pubchem | |
| Passes Lipinski rule | No | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.305 | — | rdkit |
| Passes Veber rule | No | — | rdkit |
| Fraction Csp³ | 0.55 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 362 | — | pubchem |
| Heavy atom count | 22 | — | pubchem |
| Molar refractivity | 96.04 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 135.9 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 0 | — | rdkit |
| Heteroatoms | 2 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Maximum clinical phase | -1.0 | — | chembl |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Ácido carboxílico | — | rdkit |