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Cat. No. 000L-5786Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 336.14 | |||
| H_acceptor | 5 | |||
| H_donor | 1 | |||
| B_rotN | 3 | |||
| logP | 3.13 | |||
| logD | 2.16 | |||
| logSw | -2.48 | |||
| PSA | 87.81 | |||
| Percent SP3 | 7.7 | |||
| Smile | Cc1c([N+](=O)[O-])ccc(C(Nc2[nH0]cc(cc2)Br)=O)c1 | |||
| InChI | InChI=1S/C13H10BrN3O3/c1-8-6-9(2-4-11(8)17(19)20)13(18)16-12-5-3-10(14)7-15-12/h2-7H,1H3,(H,15,16,18) | |||
| InChI Key | BNNLZLXHVJWBCH-UHFFFAOYSA-N | |||