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Cat. No. 000S-0730Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 419.15 | |||
| H_acceptor | 13 | |||
| H_donor | 0 | |||
| B_rotN | 2 | |||
| logP | 6.17 | |||
| logD | 3.44 | |||
| logSw | -4.09 | |||
| PSA | 22.12 | |||
| Percent SP3 | 0 | |||
| Smile | c1(c(c(nc(c1F)F)F)F)Oc1c(c2c(c(c1F)F)c(c(c(c2F)F)F)F)F | |||
| InChI | InChI=1S/C15F11NO/c16-3-1-2(4(17)8(21)7(3)20)6(19)12(9(22)5(1)18)28-13-10(23)14(25)27-15(26)11(13)24 | |||
| InChI Key | KJROPBSBPLKDFO-UHFFFAOYSA-N | |||