Table 2.
Log Poct values of 21 drug compounds calculated from Gradient retention times (tR), CHI values and hydrogen bond count (HBC) using gradient elution on a PRP-1 column and literature log Poct values.
| Drug | tr (min) | CHI | HBC | Log Poct | Log Poct (literature) |
|---|---|---|---|---|---|
| Adenine | 5.21 | 5.12 | 2 | -0.14 | -0.45 |
| Caffeine | 5.66 | 9.43 | 2 | 0.06 | -0.07 |
| Cimetidine | 6.87 | 19.80 | 3 | 0.91 | 0.46 |
| Acetaminophen | 7.06 | 21.76 | 2 | 0.64 | 0.9 |
| Sumatriptan | 7.31 | 23.83 | 3 | 1.09 | 1.1 |
| Hydrocortisone | 9.12 | 39.78 | 3 | 1.85 | 1.69 |
| Bendroflumethiazide | 10.12 | 48.76 | 3 | 2.27 | 2.09 |
| Lidocaine | 11.31 | 59.03 | 2 | 2.40 | 2.48 |
| Diazepam | 12.07 | 65.16 | 2 | 2.71 | 2.8 |
| Dibucaine | 16.38 | 104.15 | 1 | 4.15 | 4.29 |
| Tinidazole | 7.95 | 29.41 | 0 | 0.28 | 0.12 |
| Trimethoprim | 8.46 | 33.93 | 2 | 1.21 | 1.36 |
| Triamterene | 8.11 | 30.83 | 3 | 1.43 | 1.24 |
| Terbutaline | 6.52 | 16.73 | 4 | 1.13 | 1.57 |
| Tripelennamine | 14.5 | 87.48 | 0 | 3.01 | 2.65 |
| Tolazoline | 10.21 | 49.45 | 1 | 1.59 | 1.21 |
| Benzthiazide | 11.20 | 58.22 | 3 | 2.72 | 2.92 |
| Oxybutynin | 16.36 | 103.97 | 2 | 4.51 | 4.68 |
| Atropine | 9.9 | 46.70 | 2 | 1.81 | 1.83 |
| Hetacillin | 7.59 | 17.35 | 4 | 1.52 | 1.86 |
| Scopolamine | 8.73 | 36.33 | 3 | 1.69 | 1.66 |