Ringeissen, S.; Marrot, L.; Note, R.; Labarussiat, A.; Imbert, S.; Todorov, M.; Mekenyan, O.; Meunier, J.-R. Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy. Toxicol. In Vitro 2011, 25, 324–334.
Compound
| ID: | 43 | |
|---|---|---|
| Name: | R017-3271 | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C23H16N2O3/c1-28-23(27)18-13-17(14-7-3-2-4-8-14)22(26)25-12-11-16-15-9-5-6-10-19(15)24-20(16)21(18)25/h2-13,24H,1H3 |
Properties
3T3_NRU_Phototoxicity: Neural red uptake phototoxicity: P - phototoxic, nP - non-phototoxic
| Value | Source or prediction |
|---|---|
| P |
experimental value |
| P |
Phototoxicity_window: Acute phototoxicity classifier based on HOMO-LUMO energy gap (EGAP) (Training set) |