Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 684 | |
|---|---|---|
| Name: | N,N-diethylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Diethylaniline | |
| Labels: | ||
| CAS: | 91-66-7 | |
| InChi Code: | InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.96 |
experimental value |
| 3.7405 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.37 |
experimental value |
| 2.9125 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021800 | US EPA CompTox Dashboard |