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NEW: Predict NMR spectrum
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| InChI: |
1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)22-8-11(23-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,23,25,26,30) |
| InChIKey: |
AGSJDPWOEUMTCN-UHFFFAOYSA-N |
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| H donor: |
6 |
| H acceptor: |
13 |
| Rotatable bond: |
9 |
| Stereocenter: |
1 |
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| cLogP: |
-1.428 |
| cLogS: |
-3.182 |
| Polar surface: |
208.99 |
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