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Cat. No. 000S-0523Stock: Yes |
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Descriptors | Libraries | |||
Molecular weight | 275.313 | |||
H_acceptor | 5 | |||
H_donor | 0 | |||
B_rotN | 5 | |||
logP | 2.05 | |||
logD | 2.05 | |||
logSw | -3.94 | |||
PSA | 98.4 | |||
Percent SP3 | 25 | |||
Smile | C(=C(/C#N)\c1ccc(N(CCC#N)CC)cc1)(\C#N)/C#N | |||
InChI | InChI=1S/C16H13N5/c1-2-21(9-3-8-17)15-6-4-13(5-7-15)16(12-20)14(10-18)11-19/h4-7H,2-3,9H2,1H3 | |||
InChI Key | IJGKINWRCQCUSV-UHFFFAOYSA-N |
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