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Cat. No. 000L-1626Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 332.48 | |||
| H_acceptor | 3 | |||
| H_donor | 0 | |||
| B_rotN | 11 | |||
| logP | 6.86 | |||
| logD | 7.81 | |||
| logSw | -6.42 | |||
| PSA | 35.53 | |||
| Percent SP3 | 66.7 | |||
| Smile | C1CCC(C(=O)Oc2ccc(OCCCCCCCC)cc2)CC1 | |||
| InChI | InChI=1S/C21H32O3/c1-2-3-4-5-6-10-17-23-19-13-15-20(16-14-19)24-21(22)18-11-8-7-9-12-18/h13-16,18H,2-12,17H2,1H3 | |||
| InChI Key | AYESHZVHWHOLQB-UHFFFAOYSA-N | |||