ChemAxon logP calculator
Calculates logarithm of the octanol/water partition coefficient
Options
Method
Weights of the three, built-in calculation methods:
- VG (Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci., 1989, 29, 163-172)
- KLOP (Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752)
- PHYS (PHYSPROP© database)
Cl- concentration
range: 0 - 0.25 M, default: 0.1 M
Na+ + K+ concentration
range: 0 - 0.25 M, default: 0.1 M
pH
Calculates logarithm of the partition coefficient of the major microspecies (not neutral form) at the given pH (blank: input protonation state)
Tautomerization
Consider tautomerization and resonance