Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute toxicity to Daphnia magna. Q13-31-0060. 2010.
Compound
| ID: | 216 | |
|---|---|---|
| Name: | 2,4,6-trinitrotoluene | |
| Description: | ||
| Labels: | ||
| CAS: | 118-96-7 | |
| InChi Code: | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -4.39 |
experimental value |
| -4.24 |
QSAR: Model for Daphnia toxicity (Test set) |