| Descriptor: Number of rings |
0.0 | |
| Descriptor: Max net atomic charge (AM1) for C atoms |
0.2949 | |
| Descriptor: Square root of Partial Surface Area of H atoms |
0.0979 | |
| Descriptor: HOMO energy (AM1) |
-11.4 | |
| Descriptor: Schultz principal eigenvalue of D matrix |
6.2498 | |
| Descriptor: Schultz principal eigenvalue of A+D matrix |
7.5678 | |
| Descriptor: Negatively Charged Part of Partial Charged Surface Area (AM1) |
0.1371 | |
| Descriptor: count of H-donor sites (AM1) |
4.0 | |
| Descriptor: Relative number of H atoms |
0.5 | |
| Descriptor: Min valency (AM1) for O atoms |
2.08 | |
| Descriptor: Max net atomic charge (Zefirov) for C atoms |
0.0789 | |
| Descriptor: Max Pi-Pi bond order (AM1) |
0.8767 | |
| Descriptor: Polarity parameter (Zefirov) |
0.2485 | |
| Descriptor: HA dependent HDSA-1/TMSA (AM1) (all) |
0.2514 | |
| Descriptor: Max net atomic charge (Zefirov) for any atom type |
0.0963 | |
| Descriptor: HA dependent HDSA-2/TMSA (AM1) (all) |
0.0495 | |
| Descriptor: HOMO - LUMO energy gap (AM1) |
12.4024 | |
| Descriptor: Max Sigma-Sigma bond order (AM1) |
0.8348 | |
| Descriptor: WFOSA Atomic charge (Zefirov) weighted FOSA |
0.189 | |
| Descriptor: DPSA1 Difference in CPSAs (PPSA1-PNSA1) (AM1) |
13.452 | |
| Descriptor: Partial Surface Area of H atoms |
0.4936 | |
| Descriptor: Number of H atoms |
4.0 | |
| Descriptor: No. of occupied electronic levels (AM1) / # atoms |
1.5 | |
| Descriptor: Highest exchange energy (AM1) for C - C bonds |
-5.406 | |
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