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Cat. No. 000L-5719Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 292.678 | |||
| H_acceptor | 6 | |||
| H_donor | 0 | |||
| B_rotN | 3 | |||
| logP | 2.95 | |||
| logD | 2.76 | |||
| logSw | -2.7 | |||
| PSA | 85.01 | |||
| Percent SP3 | 7.7 | |||
| Smile | [N+](c1cc(c(C(Oc2cnc(cc2)C)=O)cc1)Cl)([O-])=O | |||
| InChI | InChI=1S/C13H9ClN2O4/c1-8-2-4-10(7-15-8)20-13(17)11-5-3-9(16(18)19)6-12(11)14/h2-7H,1H3 | |||
| InChI Key | MZIFANBYCOJZOE-UHFFFAOYSA-N | |||