| Descriptor: Max net atomic charge (AM1) for C atoms |
0.0696 | |
| Descriptor: Square root of Partial Surface Area of H atoms |
0.1698 | |
| Descriptor: Negatively Charged Part of Partial Charged Surface Area (AM1) |
0.0234 | |
| Descriptor: Max net atomic charge (Zefirov) for C atoms |
0.0023 | |
| Descriptor: Max Pi-Pi bond order (AM1) |
0.4792 | |
| Descriptor: Polarity parameter (Zefirov) |
0.1444 | |
| Descriptor: HA dependent HDSA-1/TMSA (AM1) (all) |
0.1017 | |
| Descriptor: Max net atomic charge (Zefirov) for any atom type |
0.0235 | |
| Descriptor: HA dependent HDSA-2/TMSA (AM1) (all) |
0.0217 | |
| Descriptor: HOMO - LUMO energy gap (AM1) |
8.1193 | |
| Descriptor: Max Sigma-Sigma bond order (AM1) |
0.7141 | |
| Descriptor: WFOSA Atomic charge (Zefirov) weighted FOSA |
4.8921 | |
| Descriptor: DPSA1 Difference in CPSAs (PPSA1-PNSA1) (AM1) |
266.328 | |
| Descriptor: Partial Surface Area of H atoms |
0.7825 | |
| Descriptor: Number of H atoms |
16.0 | |
| Descriptor: No. of occupied electronic levels (AM1) / # atoms |
1.1786 | |
| Descriptor: Highest exchange energy (AM1) for C - C bonds |
-7.4055 | |
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