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Cat. No. 000S-0631Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 279.295 | |||
| H_acceptor | 3 | |||
| H_donor | 0 | |||
| B_rotN | 1 | |||
| logP | 4.16 | |||
| logD | 4.51 | |||
| logSw | -6.14 | |||
| PSA | 62.89 | |||
| Percent SP3 | 11.8 | |||
| Smile | c1cc2c(C(C(=Cc3ccc([N+](=O)[O-])cc3)CC2)=O)cc1 | |||
| InChI | InChI=1S/C17H13NO3/c19-17-14(8-7-13-3-1-2-4-16(13)17)11-12-5-9-15(10-6-12)18(20)21/h1-6,9-11H,7-8H2/b14-11- | |||
| InChI Key | WEBULUVFDZSBFP-KAMYIIQDSA-N | |||