Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005.
Compound
| ID: | P69 | |
|---|---|---|
| Name: | heptylamine | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 111-68-2 | |
| InChi Code: | InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.72 |
Verhaar, H. J. M.; Mulder, W.; Hermens, J. L. M. QSARs for ecotoxicity. In Overview of structure-activity relationships for environmental endpoints, Part I: general outline and procedure; Hermens, J. L. M., Ed.; 1995. |
| -4.02 |
QSAR2: Polar narcosis model (Training set) |
| -3.83 |
QSAR3: Narcosis model (Training set) |