RelNo | Symbol | Name | References
|
| 1 | MW | molecular weight |
Todeschini, R. &-. Consonni, V.,
Handbook of Molecular
Descriptors.
Wiley-VCH, Weinheim (Germany),
(2000).
|
| 2 | AMW | average molecular weight |
| 3 | Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) |
| 4 | Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) |
| 5 | Sp | sum of atomic polarizabilities (scaled on Carbon atom) |
| 6 | Ss | sum of Kier-Hall electrotopological states |
| 7 | Mv | mean atomic van der Waals volume (scaled on Carbon atom) |
| 8 | Me | mean atomic Sanderson electronegativity (scaled on Carbon atom) |
| 9 | Mp | mean atomic polarizability (scaled on Carbon atom) |
| 10 | Ms | mean electrotopological state |
| 11 | nAT | number of atoms |
| 12 | nSK | number of non-H atoms |
| 13 | nBT | number of bonds |
| 14 | nBO | number of non-H bonds |
| 15 | nBM | number of multiple bonds |
| 16 | SCBO | sum of conventional bond orders (H-depleted) |
| 17 | ARR | aromatic ratio |
| 18 | nCIC | number of rings |
| 19 | nCIR | number of circuits |
| 20 | RBN | number of rotatable bonds |
| 21 | RBF | rotatable bond fraction |
| 22 | nDB | number of double bonds |
| 23 | nTB | number of triple bonds |
| 24 | nAB | number of aromatic bonds |
| 25 | nH | number of Hydrogen atoms |
| 26 | nC | number of Carbon atoms |
| 27 | nN | number of Nitrogen atoms |
| 28 | nO | number of Oxygen atoms |
| 29 | nP | number of Phosphorous atoms |
| 30 | nS | number of Sulfur atoms |
| 31 | nF | number of Fluorine atoms |
| 32 | nCL | number of Chlorine atoms |
| 33 | nBR | number of Bromine atoms |
| 34 | nI | number of Iodine atoms |
| 35 | nB | number of Boron atoms |
| 36 | nHM | number of heavy atoms |
| 37 | nX | number of halogen atoms |
| 38 | nR03 | number of 3-membered rings |
| 39 | nR04 | number of 4-membered rings |
| 40 | nR05 | number of 5-membered rings |
| 41 | nR06 | number of 6-membered rings |
| 42 | nR07 | number of 7-membered rings |
| 43 | nR08 | number of 8-membered rings |
| 44 | nR09 | number of 9-membered rings |
| 45 | nR10 | number of 10-membered rings |
| 46 | nR11 | number of 11-membered rings |
| 47 | nR12 | number of 12-membered rings |
| 48 | nBnz | number of benzene-like rings |
