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Cat. No. 000L-5737Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 337.12 | |||
| H_acceptor | 7 | |||
| H_donor | 0 | |||
| B_rotN | 1 | |||
| logP | 4.36 | |||
| logD | 3.51 | |||
| logSw | -4.52 | |||
| PSA | 84.48 | |||
| Percent SP3 | 0 | |||
| Smile | Clc1cc2N=C(c3c(cc([N+]([O-])=O)cc3)Cl)OC(c2cc1)=O | |||
| InChI | InChI=1S/C14H6Cl2N2O4/c15-7-1-3-10-12(5-7)17-13(22-14(10)19)9-4-2-8(18(20)21)6-11(9)16/h1-6H | |||
| InChI Key | SSTALKYIZXJELF-UHFFFAOYSA-N | |||