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Cat. No. 000L-5782Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 302.246 | |||
| H_acceptor | 6 | |||
| H_donor | 1 | |||
| B_rotN | 3 | |||
| logP | 2.28 | |||
| logD | 1.32 | |||
| logSw | -1.51 | |||
| PSA | 133.63 | |||
| Percent SP3 | 7.7 | |||
| Smile | [N+](c1cnc(NC(c2cc(c([N+]([O-])=O)cc2)C)=O)cc1)([O-])=O | |||
| InChI | InChI=1S/C13H10N4O5/c1-8-6-9(2-4-11(8)17(21)22)13(18)15-12-5-3-10(7-14-12)16(19)20/h2-7H,1H3,(H,14,15,18) | |||
| InChI Key | BRPKCHMSRPAWSN-UHFFFAOYSA-N | |||