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Cat. No. 000L-1566Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 260.225 | |||
| H_acceptor | 4 | |||
| H_donor | 1 | |||
| B_rotN | 3 | |||
| logP | 2.71 | |||
| logD | 3.2 | |||
| logSw | -3.82 | |||
| PSA | 74.92 | |||
| Percent SP3 | 0 | |||
| Smile | c1cc(c(C(Nc2cc([N+](=O)[O-])ccc2)=O)cc1)F | |||
| InChI | InChI=1S/C13H9FN2O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,(H,15,17) | |||
| InChI Key | IXNXRFCNYAZDHM-UHFFFAOYSA-N | |||