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NEW: Predict NMR spectrum
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| InChI: |
1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) |
| InChIKey: |
SQVRNKJHWKZAKO-UHFFFAOYSA-N |
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| H donor: |
7 |
| H acceptor: |
10 |
| Rotatable bond: |
5 |
| Stereocenter: |
6 |
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| cLogP: |
-3.297 |
| cLogS: |
0.113 |
| Polar surface: |
176.78 |
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