Compound: Theophylline
SMILES: Cn1c(=O)n(C)c2nc[nH]c2c1=O
Molecular weight: 180.16699999999997
Number of H-bond donors: 1
Number of rings: 2
Number of rotatable bonds: 0
Polar surface area: 72.68
Minimum degree: 1
ESOL predicted log solubility (mol/L): -1.452
Measured log solubility (mol/L): -1.39