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Cat. No. 000L-1433Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 286.287 | |||
| H_acceptor | 5 | |||
| H_donor | 1 | |||
| B_rotN | 5 | |||
| logP | 3.39 | |||
| logD | 2.24 | |||
| logSw | -6.06 | |||
| PSA | 87.64 | |||
| Percent SP3 | 13.3 | |||
| Smile | CCOc1cc(c(C=Nc2cc([N+](=O)[O-])ccc2)cc1)O | |||
| InChI | InChI=1S/C15H14N2O4/c1-2-21-14-7-6-11(15(18)9-14)10-16-12-4-3-5-13(8-12)17(19)20/h3-10,18H,2H2,1H3/b16-10+ | |||
| InChI Key | FDJYVHYOFBPXFS-MHWRWJLKSA-N | |||