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Predict NMR spectrum
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| InChI: |
1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;; |
| InChIKey: |
FFUMCSDSJNSMQH-LXGUGECZSA-K |
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| H donor: |
1 |
| H acceptor: |
9 |
| Rotatable bond: |
5 |
| Stereocenter: |
0 |
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| cLogP: |
1.217 |
| cLogS: |
-2.335 |
| Polar surface: |
183.14 |
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