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Cat. No. 000S-0724Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 1118.25 | |||
H_acceptor | 4 | |||
H_donor | 0 | |||
B_rotN | 25 | |||
logP | 4.9525 | |||
logD | 13.25 | |||
logSw | -5.8352 | |||
PSA | 52.6 | |||
Percent SP3 | 91.7 | |||
Smile | FC(F)(C(F)(F)COC(=O)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F | |||
InChI | InChI=1S/C24H6F40O4/c25-5(26)9(33,34)13(41,42)17(49,50)21(57,58)23(61,62)19(53,54)15(45,46)11(37,38)7(29,30)1-67-3(65)4(66)68-2-8(31,32)12(39,40)16(47,48)20(55,56)24(63,64)22(59,60)18(51,52)14(43,44)10(35,36)6(27)28/h5-6H,1-2H2 | |||
InChI Key | BZJISJVHZVWLEO-UHFFFAOYSA-N |
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