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NEW: Predict NMR spectrum
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| InChI: |
1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9- |
| InChIKey: |
WBHHMMIMDMUBKC-XFXZXTDPSA-N |
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| H donor: |
2 |
| H acceptor: |
3 |
| Rotatable bond: |
15 |
| Stereocenter: |
1 |
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| cLogP: |
6.077 |
| cLogS: |
-4.152 |
| Polar surface: |
57.53 |
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