Compound: allopurinol
SMILES: O=c1[nH]cnc2[nH]ncc12 
Molecular weight: 136.114
Number of H-bond donors: 2
Number of rings: 2
Number of rotatable bonds: 0
Polar surface area: 74.43
Minimum degree: 1
ESOL predicted log solubility (mol/L): -0.84
Measured log solubility (mol/L): -2.266