Compound: isophorone
SMILES: CC1=CC(=O)CC(C)(C)C1 
Molecular weight: 138.20999999999998
Number of H-bond donors: 0
Number of rings: 1
Number of rotatable bonds: 0
Polar surface area: 17.07
Minimum degree: 1
ESOL predicted log solubility (mol/L): -2.015
Measured log solubility (mol/L): -1.06