InChIKey | KVRWJOIFNGMIPY-FNSAWIKJSA-N |
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Inchi | 1S/C64H55N3O2/c1-45-24-26-46(27-25-45)44-65-61-66-63(55-36-28-51(29-37-55)47-16-8-4-9-17-47,56-38-30-52(31-39-56)48-18-10-5-11-19-48)59-60(69-62(2,3)68-59)64(67-61,57-40-32-53(33-41-57)49-20-12-6-13-21-49)58-42-34-54(35-43-58)50-22-14-7-15-23-50/h4-43,59-60H,44H2,1-3H3,(H2,65,66,67)/t59-,60-/m1/s1 |
SMILES | N1C(C2=CC=C(C3=CC=CC=C3)C=C2)(C2=CC=C(C3=CC=CC=C3)C=C2)[C@]2([H])OC(C)(C)O[C@@]2([H])C(C2=CC=C(C3=CC=CC=C3)C=C2)(C2=CC=C(C3=CC=CC=C3)C=C2)N=C1NCC1=CC=C(C)C=C1 |
酸度系数(pKa) | 9.50±0.70(Predicted) |
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密度 | 1.14±0.1 g/cm3(Predicted) |