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Cat. No. 000L-1415Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 285.299 | |||
H_acceptor | 5 | |||
H_donor | 2 | |||
B_rotN | 6 | |||
logP | 4.06 | |||
logD | 1.34 | |||
logSw | -3.93 | |||
PSA | 79.12 | |||
Percent SP3 | 12.5 | |||
Smile | C(c1ccc(\N=C\c2c(cc(cc2)OCC)O)cc1)(=O)O | |||
InChI | InChI=1S/C16H15NO4/c1-2-21-14-8-5-12(15(18)9-14)10-17-13-6-3-11(4-7-13)16(19)20/h3-10,18H,2H2,1H3,(H,19,20)/b17-10+ | |||
InChI Key | KREGILQKHNSXRC-LICLKQGHSA-N |
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