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Cat. No. 000L-2712Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 337.2 | |||
| H_acceptor | 5 | |||
| H_donor | 0 | |||
| B_rotN | 6 | |||
| logP | 5.28 | |||
| logD | 5.67 | |||
| logSw | -5.79 | |||
| PSA | 35.53 | |||
| Percent SP3 | 11.8 | |||
| Smile | CCOc1ccc(C=CC(Oc2ccc(cc2Cl)Cl)=O)cc1 | |||
| InChI | InChI=1S/C17H14Cl2O3/c1-2-21-14-7-3-12(4-8-14)5-10-17(20)22-16-9-6-13(18)11-15(16)19/h3-11H,2H2,1H3/b10-5+ | |||
| InChI Key | XXSRTVHUXYKKGH-BJMVGYQFSA-N | |||