|
MW |
molecular weight |
|
AMW |
average molecular weight |
|
Sv |
sum of atomic van der Waals volumes (scaled on Carbon atom) |
|
Se |
sum of atomic Sanderson electronegativities (scaled on Carbon atom) |
|
Sp |
sum of atomic polarizabilities (scaled on Carbon atom) |
|
Ss |
sum of Kier-Hall electrotopological states |
|
Mv |
mean atomic van der Waals volume (scaled on Carbon atom) |
|
Me |
mean atomic Sanderson electronegativity (scaled on Carbon atom) |
|
Mp |
mean atomic polarizability (scaled on Carbon atom) |
|
Ms |
mean electrotopological state |
|
nAT |
number of atoms |
|
nSK |
number of non-H atoms |
|
nBT |
number of bonds |
|
nBO |
number of non-H bonds |
|
nBM |
number of multiple bonds |
|
SCBO |
sum of conventional bond orders (H-depleted) |
|
ARR |
aromatic ratio |
|
nCIC |
number of rings |
|
nCIR |
number of circuits |
|
RBN |
number of rotatable bonds |
|
RBF |
rotatable bond fraction |
|
nDB |
number of double bonds |
|
nTB |
number of triple bonds |
|
nAB |
number of aromatic bonds |
|
nH |
number of Hydrogen atoms |
|
nC |
number of Carbon atoms |
|
nN |
number of Nitrogen atoms |
|
nO |
number of Oxygen atoms |
|
nP |
number of Phosphorous atoms |
|
nS |
number of Sulfur atoms |
|
nF |
number of Fluorine atoms |
|
nCL |
number of Chlorine atoms |
|
nBR |
number of Bromine atoms |
|
nI |
number of Iodine atoms |
|
nB |
number of Boron atoms |
|
nHM |
number of heavy atoms |
|
nX |
number of halogen atoms |
|
nR03 |
number of 3-membered rings |
|
nR04 |
number of 4-membered rings |
|
nR05 |
number of 5-membered rings |
|
nR06 |
number of 6-membered rings |
|
nR07 |
number of 7-membered rings |
|
nR08 |
number of 8-membered rings |
|
nR09 |
number of 9-membered rings |
|
nR10 |
number of 10-membered rings |
|
nR11 |
number of 11-membered rings |
|
nR12 |
number of 12-membered rings |
|
nBnz |
number of benzene-like rings |