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 |