Assessment and modeling of the novel toxicity data set of phenols to Chlorella vulgaris

► Toxicity of 30 phenols to Chlorella vulgaris is presented for the first time. ► Ionization was found to influence the hydrophobicity of phenols. ► Reactive phenols displayed toxicity in excess of that predicted by hydrophobicity. ► QSARs were validated externally using toxicity data on Pseudokirchneriella subcapitata.