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Cat. No. 000L-4290Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 548.23 | |||
| H_acceptor | 7 | |||
| H_donor | 0 | |||
| B_rotN | 8 | |||
| logP | 7.76 | |||
| logD | 7.89 | |||
| logSw | -5.87 | |||
| PSA | 85.01 | |||
| Percent SP3 | 21.7 | |||
| Smile | CCCCCc1c[nH0]c(c2ccc(C(Oc3c(cc([N+](=O)[O-])cc3Br)Br)=O)cc2)cc1 | |||
| InChI | InChI=1S/C23H20Br2N2O4/c1-2-3-4-5-15-6-11-21(26-14-15)16-7-9-17(10-8-16)23(28)31-22-19(24)12-18(27(29)30)13-20(22)25/h6-14H,2-5H2,1H3 | |||
| InChI Key | MHJZVUZEZILXCQ-UHFFFAOYSA-N | |||