Ren, S.; Schultz, T. W. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors. Toxicol. Lett. 2002, 129, 151–160.
Compound
| ID: | 76 | |
|---|---|---|
| Name: | 2-Butyn-1,4-diol | |
| Description: | InChI code was generated with JChem for Excel | |
| Labels: | ||
| CAS: | 110-65-6 | |
| InChi Code: | InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 |
Properties
Mechanism: Mechanism of aquatic toxicity i
| Value | Source or prediction |
|---|---|
| R |
experimental value |
| R |
Eq4: Model for toxicants (Training set) |