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| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | C8H11NO2 | — | pubchem |
| Molecular weight | 153.18 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| LogP (experimental) | log Kow = -0.98 | — | pubchem |
| Melting point | 128 °C | — | pubchem |
| Water solubility | Freely sol in water; sol in methanol, in hot 95% ethanol, in aq soln of alkali hydroxides; practically insol in petroleum ether, ether, benzene, chloroform, toluene /Hydrochloride/ | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| XLogP | -1 | — | pubchem |
| MolLogP (Crippen) | 0.599 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 3 | — | pubchem |
| H-bond donors | 3 | — | pubchem |
| Rotatable bonds | 2 | — | pubchem |
| Polar surface area (TPSA) | 66.5 | Ų | pubchem |
| Lipinski violations | 0 | — | rdkit |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.545 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 0.25 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 119 | — | pubchem |
| Heavy atom count | 11 | — | pubchem |
| Molar refractivity | 42.53 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 65.09 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 1 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 1 | — | rdkit |
| Heteroatoms | 3 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Fenol | — | rdkit |
The structural core without substituents — useful for comparing chemical families and structure-activity relationships.