Skin / eye irritants
TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).
For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50,
estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.
| NAME | CAS | FORMULA | MW | TerraQSAR - LOGP |
| methoxyflurane | 76-38-0 | C3H4Cl2F2O | 164.97 | 1.85 |
|
| mecrilate | 137-05-3 | C5H5NO2 | 111.10 | 1.51 |
|
| dimepranol | 53657-16-2 | C5H13NO | 103.16 | 0.67 |
|
| isosorbide dinitrate | 87-33-2 | C6H8N2O8 | 236.14 | -0.63 |
|
| dexpanthenol (R) | 81-13-0 | C9H19NO4 | 205.25 | -0.07 |
|
| zifrosilone | 132236-18-1 | C11H13F3OSi | 246.30 | 3.56 |
|
| amidefrine mesilate | 1421-68-7 | C11H20N2O6S2 | 340.42 | 0.26 |
|
| etoglucid | 1954-28-5 | C12H22O6 | 262.30 | 0.10 |
|
| octoxinol | 9002-93-1 | C16H26O2 | 250.38 | 3.06 |
|
| butantrone | 75464-11-8 | C18H16O4 | 296.32 | 3.34 |
|
| oxomemazine | 3689-50-7 | C18H22N2O2S | 330.45 | 2.39 |
|
| cyamemazine | 3546-03-0 | C19H21N3S | 323.46 | 4.71 |
|
| metogest | 52279-58-0 | C20H30O2 | 302.46 | 2.70 |
|
| micronomicin | 52093-21-7 | C20H41N5O7 | 463.58 | -1.44 |
|
| sorbitan sesquioleate | 8007-43-0 | C23H42O6 | 414.58 | 7.31 |
|
| penoctonium bromide | 17088-72-1 | C26H50BrNO2 | 488.60 | 3.51 |
|
| hydrargaphen | 14235-86-0 | C33H24Hg2O6S2 | 981.86 | 6.18 |
|
| sorbitan trioleate | 26266-58-0 | C60H108O8 | 957.52 | 2.86 |
|
These data provided free by TerraBase Inc.
Copyright © 2004 by TerraBase Inc.