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Cat. No. 000L-5681Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 295.292 | |||
| H_acceptor | 6 | |||
| H_donor | 0 | |||
| B_rotN | 6 | |||
| logP | 2.98 | |||
| logD | 2.68 | |||
| logSw | -4.17 | |||
| PSA | 98.42 | |||
| Percent SP3 | 42.9 | |||
| Smile | CC(OC(C(OC(c1cc([N+](=O)[O-])c(C)cc1)=O)C)=O)C | |||
| InChI | InChI=1S/C14H17NO6/c1-8(2)20-13(16)10(4)21-14(17)11-6-5-9(3)12(7-11)15(18)19/h5-8,10H,1-4H3 | |||
| InChI Key | KDQVWTYKRDPGKJ-UHFFFAOYSA-N | |||