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Cat. No. 000L-0485Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 407.34 | |||
| H_acceptor | 7 | |||
| H_donor | 1 | |||
| B_rotN | 6 | |||
| logP | 3.84 | |||
| logD | 4.51 | |||
| logSw | -3.59 | |||
| PSA | 147.04 | |||
| Percent SP3 | 0 | |||
| Smile | c1c(OC(c2ccc([N+]([O-])=O)cc2)=O)ccc(NC(c2ccc([N+](=O)[O-])cc2)=O)c1 | |||
| InChI | InChI=1S/C20H13N3O7/c24-19(13-1-7-16(8-2-13)22(26)27)21-15-5-11-18(12-6-15)30-20(25)14-3-9-17(10-4-14)23(28)29/h1-12H,(H,21,24) | |||
| InChI Key | ZVLYHUFBGCNDSE-UHFFFAOYSA-N | |||