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Cat. No. 000S-0580Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 275.331 | |||
| H_acceptor | 4 | |||
| H_donor | 3 | |||
| B_rotN | 4 | |||
| logP | 1.71 | |||
| logD | 1.44 | |||
| logSw | -4.64 | |||
| PSA | 84.55 | |||
| Percent SP3 | 0 | |||
| Smile | c1ccc(C=NNc2ccc([S+2](N)(=O)=O)cc2)cc1 | |||
| InChI | InChI=1S/C13H13N3O2S/c14-19(17,18)13-8-6-12(7-9-13)16-15-10-11-4-2-1-3-5-11/h1-10,16H,(H2,14,17,18)/b15-10+ | |||
| InChI Key | QYZZOCOHHAVYOX-XNTDXEJSSA-N | |||