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Predict NMR spectrum
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| InChI: |
1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) |
| InChIKey: |
DZTHIGRZJZPRDV-UHFFFAOYSA-N |
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| H donor: |
3 |
| H acceptor: |
5 |
| Rotatable bond: |
4 |
| Stereocenter: |
1 |
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| cLogP: |
0.836 |
| cLogS: |
-2.264 |
| Polar surface: |
82.19 |
| NEW: 3D model: |
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