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Cat. No. 000L-2573Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 246.306 | |||
| H_acceptor | 3 | |||
| H_donor | 0 | |||
| B_rotN | 4 | |||
| logP | 3.26 | |||
| logD | 3.26 | |||
| logSw | -3.81 | |||
| PSA | 43.37 | |||
| Percent SP3 | 46.667 | |||
| Smile | C(Oc1ccc(C(=O)C)cc1)(=O)C1CCCCC1 | |||
| InChI | InChI=1S/C15H18O3/c1-11(16)12-7-9-14(10-8-12)18-15(17)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3 | |||
| InChI Key | MVGAXSRCUQWTJM-UHFFFAOYSA-N | |||