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Cat. No. 000L-5716Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 312.111 | |||
| H_acceptor | 3 | |||
| H_donor | 1 | |||
| B_rotN | 1 | |||
| logP | 3.18 | |||
| logD | 2.42 | |||
| logSw | -5.15 | |||
| PSA | 87.81 | |||
| Percent SP3 | 0 | |||
| Smile | c1c(c[nH0]c(NC(c2c(cc([N+](=O)[O-])cc2)Cl)=O)c1)Cl | |||
| InChI | InChI=1S/C12H7Cl2N3O3/c13-7-1-4-11(15-6-7)16-12(18)9-3-2-8(17(19)20)5-10(9)14/h1-6H,(H,15,16,18) | |||
| InChI Key | XRFVIBDTSMDUJA-UHFFFAOYSA-N | |||