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Cat. No. 000L-0458Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 422.31 | |||
H_acceptor | 3 | |||
H_donor | 0 | |||
B_rotN | 9 | |||
logP | 7.06 | |||
logD | 8.27 | |||
logSw | -7.28 | |||
PSA | 26.3 | |||
Percent SP3 | 35 | |||
Smile | CCCCCCCc1ccc(C(=O)Oc2ccc(I)cc2)cc1 | |||
InChI | InChI=1S/C20H23IO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20(22)23-19-14-12-18(21)13-15-19/h8-15H,2-7H2,1H3 | |||
InChI Key | HGGVOPPKHJQZKG-UHFFFAOYSA-N |
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