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NEW: Predict NMR spectrum
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| InChI: |
1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4) |
| InChIKey: |
GJOHLWZHWQUKAU-UHFFFAOYSA-N |
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| H donor: |
8 |
| H acceptor: |
12 |
| Rotatable bond: |
6 |
| Stereocenter: |
1 |
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| cLogP: |
-8.508 |
| cLogS: |
1.788 |
| Polar surface: |
235.31 |
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