Compound: 2,4,6-Trinitrotoluene
SMILES: Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
Molecular weight: 227.13199999999998
Number of H-bond donors: 0
Number of rings: 1
Number of rotatable bonds: 3
Polar surface area: 129.42000000000002
Minimum degree: 1
ESOL predicted log solubility (mol/L): -2.6060000000000003
Measured log solubility (mol/L): -3.22