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Cat. No. 000S-0495Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 318.46 | |||
| H_acceptor | 3 | |||
| H_donor | 0 | |||
| B_rotN | 9 | |||
| logP | 6.13 | |||
| logD | 6.69 | |||
| logSw | -8.49 | |||
| PSA | 35.53 | |||
| Percent SP3 | 65 | |||
| Smile | CCCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1 | |||
| InChI | InChI=1S/C20H30O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(13-15-19)22-4-2/h12-17H,3-11H2,1-2H3 | |||
| InChI Key | MQMODHKFYZEGRC-UHFFFAOYSA-N | |||