Compound: 1-Heptyne
SMILES: CCCCCC#C
Molecular weight: 96.17299999999999
Number of H-bond donors: 0
Number of rings: 0
Number of rotatable bonds: 3
Polar surface area: 0.0
Minimum degree: 1
ESOL predicted log solubility (mol/L): -2.155
Measured log solubility (mol/L): -3.01