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Predict NMR spectrum
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| InChI: |
1S/2C10H14N2.H2O4S/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2*2,4,6,8,10H,3,5,7H2,1H3;(H2,1,2,3,4) |
| InChIKey: |
IECQULMJVNSKDB-UHFFFAOYSA-N |
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| H donor: |
2 |
| H acceptor: |
8 |
| Rotatable bond: |
2 |
| Stereocenter: |
2 |
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| cLogP: |
-1.975 |
| cLogS: |
0.999 |
| Polar surface: |
115.24 |
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