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: | 23 | |
|---|---|---|
| Name: | Penicillin G | |
| Description: | ||
| Labels: | ||
| CAS: | 61-33-6 | |
| InChi Code: | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
Properties
3T3_NRU_Phototoxicity: Neural red uptake phototoxicity: P - phototoxic, nP - non-phototoxic
| Value | Source or prediction |
|---|---|
| nP |
experimental value |
| nP |
Phototoxicity_window: Acute phototoxicity classifier based on HOMO-LUMO energy gap (EGAP) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5046934 | US EPA CompTox Dashboard |