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| Ethynylestradiol 3-methyl ether |
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Predict NMR spectrum
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| InChI: |
1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey: |
IMSSROKUHAOUJS-MJCUULBUSA-N |
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| H donor: |
1 |
| H acceptor: |
2 |
| Rotatable bond: |
1 |
| Stereocenter: |
5 |
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| cLogP: |
3.827 |
| cLogS: |
-4.766 |
| Polar surface: |
29.46 |
| NEW: 3D model: |
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