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Cat. No. 000L-0380Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 319.32 | |||
H_acceptor | 4 | |||
H_donor | 0 | |||
B_rotN | 4 | |||
logP | 4.67 | |||
logD | 5.73 | |||
logSw | -6.97 | |||
PSA | 72.12 | |||
Percent SP3 | 0 | |||
Smile | c1ccc(c2ccc(OC(c3ccc([N+](=O)[O-])cc3)=O)cc2)cc1 | |||
InChI | InChI=1S/C19H13NO4/c21-19(16-6-10-17(11-7-16)20(22)23)24-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-13H | |||
InChI Key | DEMMRJADWMDFKN-UHFFFAOYSA-N |
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