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Cat. No. 000L-5750Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 285.303 | |||
| H_acceptor | 4 | |||
| H_donor | 1 | |||
| B_rotN | 3 | |||
| logP | 3.15 | |||
| logD | 1.81 | |||
| logSw | -0.56 | |||
| PSA | 87.81 | |||
| Percent SP3 | 20 | |||
| Smile | Cc1cc(NC(c2cc(c([N+](=O)[O-])cc2)C)=O)[nH0]c(c1)C | |||
| InChI | InChI=1S/C15H15N3O3/c1-9-6-11(3)16-14(7-9)17-15(19)12-4-5-13(18(20)21)10(2)8-12/h4-8H,1-3H3,(H,16,17,19) | |||
| InChI Key | SLXQLVPIXWVBEB-UHFFFAOYSA-N | |||