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Cyanocobalamin	Predict NMR spectrum	RN:  68-19-9 MF:  C63H88CoN14O14P MW:  1355.38408
InChI:  1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+6/p-2 InChIKey:  YUWVGNQGDAPKCX-UHFFFAOYSA-L	H donor:  9 H acceptor:  28 Rotatable bond:  16 Stereocenter:  15	cLogP:  2.031 cLogS:  -8.956 Polar surface:  450.6
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