REPOSITORY ABOUT GUIDELINES CITING BLOG

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

ID Name PIImol Details
1 Resorcinol 23.75 View
2 Pyrogallol 126 View
3 4-Aminoresorcinol hydrochloride i 93.75 View
4 2-Methylresorcinol 31 View
5 4-Ethylresorcinol 327.75 View
6 4-tert-Butylcatechol 996 View
7 3,5-Dihydroxybenzyl alcohol 52.5 View
8 3,4-Dihydroxyphenylacetic acid 0 View
9 3,4-Dihydroxyhydrocinnamic acid 0 View
10 p-Ethylphenol 777.75 View
11 p-tert-Butylphenol 516.38 View
12 Phenol 564 View
13 p-Methoxyphenol 406 View
14 2,4-Dihydroxybenzoic acid 96.25 View
15 2,4-Dihydroxybenzaldehyde 103.5 View
16 2-Nitroresorcinol 213.13 View
17 2',4'-Dihydroxyacetophenone 0 View
18 2',4'-Dihydroxypropiophenone 62.25 View
19 2,4-Dihydroxybenzophenone 126.25 View
20 Propylgallate 0 View
21 p-Hydroxyacetophenone 68 View
22 p-Hydroxybenzophenone 74.25 View
23 p-Phenylphenol 106.25 View
24 2,3,4-Trihydroxybenzophenone 373.75 View

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