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Predict NMR spectrum
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| InChI: |
1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79) |
| InChIKey: |
RJURFGZVJUQBHK-UHFFFAOYSA-N |
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| H donor: |
5 |
| H acceptor: |
28 |
| Rotatable bond: |
8 |
| Stereocenter: |
10 |
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| cLogP: |
-0.066 |
| cLogS: |
-4.323 |
| Polar surface: |
355.54 |
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