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NEW: Predict NMR spectrum
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| InChI: |
1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; |
| InChIKey: |
FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
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| H donor: |
4 |
| H acceptor: |
9 |
| Rotatable bond: |
13 |
| Stereocenter: |
0 |
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| cLogP: |
2.966 |
| cLogS: |
-3.796 |
| Polar surface: |
144.6 |
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