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: | 363 | |
|---|---|---|
| Name: | ethyl 4-aminobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl p-aminobenzoate | |
| Labels: | ||
| CAS: | 94-09-7 | |
| InChi Code: | InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.67 |
experimental value |
| 3.5337 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.67 |
experimental value |
| 0.9079 |
Tab2.Model_6: Esters P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021804 | US EPA CompTox Dashboard |