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Cat. No. 000L-1364Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 299.326 | |||
H_acceptor | 4 | |||
H_donor | 0 | |||
B_rotN | 4 | |||
logP | 4.56 | |||
logD | 5.4 | |||
logSw | -6.73 | |||
PSA | 72.12 | |||
Percent SP3 | 23.5 | |||
Smile | CC(c1ccc(OC(c2ccc([N+](=O)[O-])cc2)=O)cc1)(C)C | |||
InChI | InChI=1S/C17H17NO4/c1-17(2,3)13-6-10-15(11-7-13)22-16(19)12-4-8-14(9-5-12)18(20)21/h4-11H,1-3H3 | |||
InChI Key | TUGFWDWVBRVGMG-UHFFFAOYSA-N |
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