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Cat. No. 000L-1431Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 291.734 | |||
| H_acceptor | 3 | |||
| H_donor | 2 | |||
| B_rotN | 5 | |||
| logP | 3.88 | |||
| logD | 3.48 | |||
| logSw | 0.51 | |||
| PSA | 62.05 | |||
| Percent SP3 | 13.3 | |||
| Smile | N(\c1cc(ccc1O)Cl)=C/c1c(cc(cc1)OCC)O | |||
| InChI | InChI=1S/C15H14ClNO3/c1-2-20-12-5-3-10(15(19)8-12)9-17-13-7-11(16)4-6-14(13)18/h3-9,18-19H,2H2,1H3/b17-9+ | |||
| InChI Key | AWVWENDHOHMHBL-RQZCQDPDSA-N | |||