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Cat. No. 000L-1954Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 272.26 | |||
H_acceptor | 5 | |||
H_donor | 1 | |||
B_rotN | 4 | |||
logP | 3.04 | |||
logD | 2.12 | |||
logSw | -6.25 | |||
PSA | 87.64 | |||
Percent SP3 | 7.1 | |||
Smile | [N+](c1ccc(\N=C\c2c(ccc(c2)OC)O)cc1)([O-])=O | |||
InChI | InChI=1S/C14H12N2O4/c1-20-13-6-7-14(17)10(8-13)9-15-11-2-4-12(5-3-11)16(18)19/h2-9,17H,1H3/b15-9+ | |||
InChI Key | DOFDZBCBFGDCTC-OQLLNIDSSA-N |
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