10967/153 - QDB Compounds

QsarDB Repository

Hayashi, M.; Nakamura, Y.; Higashi, K.; Kato, H.; Kishida, F.; Kaneko, H. A quantitative structure–activity relationship study of the skin irritation potential of phenols. Toxicol. In Vitro 1999, 13, 915–922.

24 compounds | Property PIImol: Skin irritation potential (PII), molecular-based score

IDNamePIImolDetails
1Resorcinol23.75View
2Pyrogallol126View
34-Aminoresorcinol hydrochloride i93.75View
42-Methylresorcinol31View
54-Ethylresorcinol327.75View
64-tert-Butylcatechol996View
73,5-Dihydroxybenzyl alcohol52.5View
83,4-Dihydroxyphenylacetic acid0View
93,4-Dihydroxyhydrocinnamic acid0View
10p-Ethylphenol777.75View
11p-tert-Butylphenol516.38View
12Phenol564View
13p-Methoxyphenol406View
142,4-Dihydroxybenzoic acid96.25View
152,4-Dihydroxybenzaldehyde103.5View
162-Nitroresorcinol213.13View
172',4'-Dihydroxyacetophenone0View
182',4'-Dihydroxypropiophenone62.25View
192,4-Dihydroxybenzophenone126.25View
20Propylgallate0View
21p-Hydroxyacetophenone68View
22p-Hydroxybenzophenone74.25View
23p-Phenylphenol106.25View
242,3,4-Trihydroxybenzophenone373.75View

Bibliography

  1. Hayashi, M.; Nakamura, Y.; Higashi, K.; Kato, H.; Kishida, F.; Kaneko, H. A quantitative structure–activity relationship study of the skin irritation potential of phenols. Toxicology in Vitro 1999, 13, 915–922. http://dx.doi.org/10.1016/s0887-2333(99)00077-6