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Predict NMR spectrum
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| InChI: |
1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2 |
| InChIKey: |
QWSQBPVXJFWXDW-UHFFFAOYSA-L |
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| H donor: |
1 |
| H acceptor: |
11 |
| Rotatable bond: |
5 |
| Stereocenter: |
0 |
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| cLogP: |
0.476 |
| cLogS: |
-3.124 |
| Polar surface: |
193.93 |
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