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Predict NMR spectrum
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| InChI: |
1S/C20H8Br4O5.C16H18N3S/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h1-6H,(H2-,25,26,27,28);5-10H,1-4H3/q;+1/p+1 |
| InChIKey: |
AXIKDPDWFVPGOD-UHFFFAOYSA-O |
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| H donor: |
3 |
| H acceptor: |
8 |
| Rotatable bond: |
4 |
| Stereocenter: |
0 |
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| cLogP: |
10.52 |
| cLogS: |
-12.211 |
| Polar surface: |
97.13 |
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