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Cat. No. 000L-2616Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 492.68 | |||
| H_acceptor | 5 | |||
| H_donor | 0 | |||
| B_rotN | 16 | |||
| logP | 10.38 | |||
| logD | 9.95 | |||
| logSw | -8.54 | |||
| PSA | 52.6 | |||
| Percent SP3 | 40 | |||
| Smile | CCCCCCc1ccc(OC(C2SC(C(Oc3ccc(CCCCCC)cc3)=O)=CC=2)=O)cc1 | |||
| InChI | InChI=1S/C30H36O4S/c1-3-5-7-9-11-23-13-17-25(18-14-23)33-29(31)27-21-22-28(35-27)30(32)34-26-19-15-24(16-20-26)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3 | |||
| InChI Key | CGHIUAIGNPGJON-UHFFFAOYSA-N | |||