TABLE 1.
Compound | Mol wt (g · mol−1)a | log Pa | fu | pKa/pKba | Solubility (g · liter−1) at pH 7.4a |
---|---|---|---|---|---|
Isoniazid | 137.14 | −0.67 | 0.9b | 13.61/2.36, 3.36 | 42.15 |
Acetylisoniazid | 179.18 | −0.9 | 0.7c | 11.43/9.04, 3.19 | 25.51 |
Isonicotinic acid | 123.11 | 0.4 | 0.95c | 3.73/2.35 | 5,326 |
Isonicotinylglycine | 180.16 | −0.7 | 0.95c | 1.21/2.76, 3.88 | 2,400 |
Hydrazine | 32.05 | −1.96 | 0.99c | −/5.4, 3.71 | 200 |
Acetylhydrazine | 74.08 | −1.33 | 0.98c | 13.18/3.28 | 4,183 |
Diacetylhydrazine | 116.12 | −1.62 | 0.99c | 12.14, 10.83/− | 125.76 |
Estimated; log P, partition-coefficient; pKa, acid dissociation constant; pKb, base dissociation constant.
Taken from reference 69.
Identified from parameter optimization.