Compound: Diallate
SMILES: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
Molecular weight: 270.225
Number of H-bond donors: 0
Number of rings: 0
Number of rotatable bonds: 4
Polar surface area: 20.310000000000002
Minimum degree: 1
ESOL predicted log solubility (mol/L): -3.827
Measured log solubility (mol/L): -4.2860000000000005