| Descriptor: Max net atomic charge (AM1) for C atoms |
0.081 | |
| Descriptor: Square root of Partial Surface Area of H atoms |
0.127 | |
| Descriptor: Negatively Charged Part of Partial Charged Surface Area (AM1) |
0.0602 | |
| Descriptor: Max net atomic charge (Zefirov) for C atoms |
0.0274 | |
| Descriptor: Max Pi-Pi bond order (AM1) |
0.487 | |
| Descriptor: Polarity parameter (Zefirov) |
0.2188 | |
| Descriptor: HA dependent HDSA-1/TMSA (AM1) (all) |
0.1221 | |
| Descriptor: Max net atomic charge (Zefirov) for any atom type |
0.0425 | |
| Descriptor: HA dependent HDSA-2/TMSA (AM1) (all) |
0.0253 | |
| Descriptor: HOMO - LUMO energy gap (AM1) |
9.5082 | |
| Descriptor: Max Sigma-Sigma bond order (AM1) |
0.6948 | |
| Descriptor: WFOSA Atomic charge (Zefirov) weighted FOSA |
2.866 | |
| Descriptor: DPSA1 Difference in CPSAs (PPSA1-PNSA1) (AM1) |
98.77 | |
| Descriptor: Partial Surface Area of H atoms |
0.613 | |
| Descriptor: Number of H atoms |
10.0 | |
| Descriptor: No. of occupied electronic levels (AM1) / # atoms |
1.381 | |
| Descriptor: Highest exchange energy (AM1) for C - C bonds |
-5.3254 | |
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