| NAME | CAS | FORMULA | MW | TerraQSAR - LOGP |
| methoxyflurane | 76-38-0 | C3H4Cl2F2O | 164.97 | 1.85 |
|
| hexachlorocyclopentadiene | 77-47-4 | C5Cl6 | 272.77 | 5.04 |
|
| mecrylate | 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 |
|
| sulfur, trifluoro(2-methoxy-N-(2-methoxyethyl)ethanaminato-kappaN- | 202289-38-1 | C6H14F3NO2S | 221.24 | -2.90 |
|
| 1H,1H-heptafluorobutyl methacrylate | 13695-31-3 | C8H7F7O2 | 268.13 | 0.50 |
|
| 2-benzothiazolone, 3-methyl-, hydrazone | 1128-67-2 | C8H9N3S | 179.24 | 2.02 |
|
| acetamide, N-(4-aminophenyl)-, monohydrochloride | 43036-07-3 | C8H11ClN2O | 186.64 | 1.34 |
|
| haloprogin | 777-11-7 | C9H4Cl3IO | 361.39 | 0.65 |
|
| benzeneacetonitrile, 3-(trifluoromethyl)- | 2338-76-3 | C9H6F3N | 185.15 | 3.60 |
|
| 3-phosphabicyclo[4.4.0]decane, P-chloro-5,10-dimethyl-2,4-dioxa-p-thiono- | 10140-91-7 | C9H16ClO2PS | 254.72 | 3.39 |
|
| dexpanthenol (R) | 81-13-0 | C9H19NO4 | 205.25 | -0.07 |
|
| 1H-benzotriazole-1-acetic acid, ethyl ester | 69218-46-8 | C10H11N3O2 | 205.22 | 2.25 |
|
| glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, tetrasodium salt, [dihydrate] | 10378-23-1 | C10H12N2Na4O8 | 380.17 | -3.05 |
|
| alpha-tetralol; 1,2,3,4-tetrahydro-1-naphthol | 529-33-9 | C10H12O | 148.20 | 2.20 |
|
| pentanoic acid, 4-oxo-, calcium salt | 591-64-0 | C10H14CaO6 | 270.30 | 0.91 |
|
| 1-octyne-3-ol, 4-ethyl | 5877-42-9 | C10H18O | 154.25 | 1.58 |
|
| 6,8-carvomenthenediol, DL-(Z)- | 32226-54-3 | C10H18O2 | 170.25 | 2.96 |
|
| zifrosilone | 132236-18-1 | C11H13F3OSi | 246.30 | 3.56 |
|
| amidefrine mesilate | 1421-68-7 | C11H20N2O6S2 | 340.42 | 0.26 |
|
| sulfide, bis(4-bromophenyl) | 3393-78-0 | C12H8Br2S | 344.08 | 4.44 |
|
| cyclododecanone, 2-bromo- | 31236-94-9 | C12H21BrO | 261.21 | 4.17 |
|
| etoglucid | 1954-28-5 | C12H22O6 | 262.30 | 0.10 |
|
| phosphinic acid, octyl-, butyl ester | 63886-54-4 | C12H27O2P | 234.32 | 3.52 |
|
| phenol, 2-iodo-, 3,4,5-triiodobenzoate | 73986-56-8 | C13H6I4O2 | 701.80 | 4.46 |
|
| o-catechol, 4-(2-((3-amino-4-pyridyl)amino)ethyl)- | 451-75-2 | C13H15N3O2 | 245.28 | 1.16 |
|
| benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, [trihydrate] | 64058-58-8 | C14H12Na2O4S4 | 418.48 | 3.12 |
|
| 2-propenamide, 3-phenyl-N-(2-pyridinyl-, monohydrochloride | 63731-90-8 | C14H13ClN2O | 260.72 | 1.49 |
|
| bicyclo[2.2.1]hept-5-ene, 2,3-dicarboximide, N-pentyl- | 33388-72-6 | C14H19NO2 | 233.31 | 3.23 |
|
| tetradecylamine hydrochloride | 1838-04-6 | C14H32ClN | 249.87 | 3.42 |
|
| guanidine, 4,4'-methylenediphenyldi- | 7773-73-1 | C15H18N6 | 282.35 | 3.33 |
|
| 1,3-bis(2,3-epoxypropyl)-2-(2,3-epoxypropoxy)benzene | 13561-08-5 | C15H18O6 | 294.30 | 0.11 |
|
| 2-norbornanol, 3-(benzylmethylaminomethyl) | 74111-27-6 | C16H23NO | 245.37 | 6.15 |
|
| octoxinol; octoxynol | 9002-93-1-[a] | C16H26O2 | 250.38 | 3.06 |
|
| civetone | 542-46-1 | C17H30O | 250.43 | 4.11 |
|
| phosphonic acid, (alpha-(2-diethylamino)ethyl)benzyl-, O,O-diethyl ester, hydrochloride | 51713-20-3 | C17H31ClNO3P | 363.87 | 1.05 |
|
| phenol, 4,4'-(2-pyridylmethylene)di- | 603-41-8 | C18H15NO2 | 277.32 | 2.91 |
|
| butantrone | 75464-11-8 | C18H16O4 | 296.32 | 3.34 |
|
| oxomemazine | 3689-50-7 | C18H22N2O2S | 330.45 | 2.39 |
|
| 1H-azepine, hexahydro-1-(2-methoxy-2-phenyl-N-propylacetimidoyl)- | 64058-23-7 | C18H28N2O2 | 304.43 | 2.43 |
|
| aluminum, dihydroxy(stearato)- | 7047-84-9 | C18H37AlO4 | 344.47 | 6.73 |
|
| alcohols, C16-18, ethoxylated | 68439-49-6 | C18H38O | 270.50 | 6.60 |
|
| poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro- omega-hydroxy- | 25322-69-4 | C18H38S | 286.57 | 6.02 |
|
| cyamemazine | 3546-03-0 | C19H21N3S | 323.46 | 4.71 |
|
| primene JM-T | 68955-54-4 | C19H41N | 283.54 | 3.64 |
|
| lignosulfonic acid | 8062-15-5 | C20H26O10S2 | 490.55 | 2.42 |
|
| metogest; estr-4-en-3-one, 16,16-dimethyl-17-hydroxy-, (17-beta)- | 52279-58-0 | C20H30O2 | 302.46 | 2.70 |
|
| micronomicin | 52093-21-7 | C20H41N5O7 | 463.58 | -1.44 |
|
| malformin A | 3022-92-2 | C23H39N5O5S2 | 529.72 | -2.34 |
|
| sorbitan sesquioleate | 8007-43-0 | C23H42O6 | 414.58 | 7.31 |
|
| benzenamine, deriv. | 603-47-4 | C24H28ClN3 | 393.96 | 0.52 |
|
| prethcamide | 8015-51-8 | C25H46N4O4 | 466.67 | 1.51 |
|
| penoctonium bromide | 17088-72-1 | C26H50BrNO2 | 488.60 | 3.51 |
|
| podophyllotoxin, 4,6-O-benzylidene-beta-D-glucopyranoside | 16481-54-2 | C28H32O13 | 576.55 | 2.01 |
|
| hydrargaphen | 14235-86-0 | C33H24Hg2O6S2 | 981.86 | 6.18 |
|
| phomopsin A | 64925-80-0 | C36H45ClN6O12 | 789.24 | 2.16 |
|
| sorbitan trioleate | 26266-58-0 | C60H108O8 | 957.52 | 2.86 |
|