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Cat. No. 000L-5764Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 258.233 | |||
| H_acceptor | 5 | |||
| H_donor | 0 | |||
| B_rotN | 3 | |||
| logP | 2.49 | |||
| logD | 2.08 | |||
| logSw | -3.13 | |||
| PSA | 85.01 | |||
| Percent SP3 | 7.7 | |||
| Smile | c1c[nH0]cc(OC(c2cc(c([N+](=O)[O-])cc2)C)=O)c1 | |||
| InChI | InChI=1S/C13H10N2O4/c1-9-7-10(4-5-12(9)15(17)18)13(16)19-11-3-2-6-14-8-11/h2-8H,1H3 | |||
| InChI Key | UPFCBPYTYWYJCW-UHFFFAOYSA-N | |||