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Cat. No. 000S-0737Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 230.391 | |||
| H_acceptor | 2 | |||
| H_donor | 0 | |||
| B_rotN | 13 | |||
| logP | 5.106 | |||
| logD | 4.88 | |||
| logSw | -5.397 | |||
| PSA | 18.46 | |||
| Percent SP3 | 100 | |||
| Smile | CCCCCCOCCOCCCCCC | |||
| InChI | InChI=1S/C14H30O2/c1-3-5-7-9-11-15-13-14-16-12-10-8-6-4-2/h3-14H2,1-2H3 | |||
| InChI Key | ITZAHBOREXAZFQ-UHFFFAOYSA-N | |||