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| Montelukast sodium |
| Montelukast na |
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Predict NMR spectrum
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| InChI: |
1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m0./s1 |
| InChIKey: |
LBFBRXGCXUHRJY-YBGTYPRZSA-M |
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| H donor: |
1 |
| H acceptor: |
4 |
| Rotatable bond: |
12 |
| Stereocenter: |
1 |
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| cLogP: |
8.633 |
| cLogS: |
-8.53 |
| Polar surface: |
98.55 |
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