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NEW: Predict NMR spectrum
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| InChI: |
1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9) |
| InChIKey: |
ZPBWCRDSRKPIDG-UHFFFAOYSA-N |
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| H donor: |
3 |
| H acceptor: |
10 |
| Rotatable bond: |
11 |
| Stereocenter: |
1 |
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| cLogP: |
0.937 |
| cLogS: |
-2.99 |
| Polar surface: |
162.63 |
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