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Cat. No. 000L-1397Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 258.233 | |||
| H_acceptor | 5 | |||
| H_donor | 2 | |||
| B_rotN | 4 | |||
| logP | 2.79 | |||
| logD | 3.26 | |||
| logSw | -5.5 | |||
| PSA | 98.64 | |||
| Percent SP3 | 0 | |||
| Smile | Oc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 | |||
| InChI | InChI=1S/C13H10N2O4/c16-12-4-1-10(2-5-12)14-8-9-7-11(15(18)19)3-6-13(9)17/h1-8,16-17H/b14-8+ | |||
| InChI Key | DFRWJLZTGVUBMS-RIYZIHGNSA-N | |||