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Cat. No. 000L-2493Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 447.36 | |||
| H_acceptor | 2 | |||
| H_donor | 1 | |||
| B_rotN | 6 | |||
| logP | 6.55 | |||
| logD | 6.88 | |||
| logSw | -6.39 | |||
| PSA | 29.1 | |||
| Percent SP3 | 40.9 | |||
| Smile | c1cc(c(NC(=O)c2ccc(C3CCC(CC3)CCC)cc2)cc1)I | |||
| InChI | InChI=1S/C22H26INO/c1-2-5-16-8-10-17(11-9-16)18-12-14-19(15-13-18)22(25)24-21-7-4-3-6-20(21)23/h3-4,6-7,12-17H,2,5,8-11H2,1H3,(H,24,25) | |||
| InChI Key | QKMXCXFYCZGLDV-UHFFFAOYSA-N | |||