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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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0
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Rotatable bonds
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15
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Topological polar surface area
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15.6
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Molecular weight
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412.38
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XLogP
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8.4
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CN(CCC=C(CCC=C(C)C)C)C=NCC=C(CCC=C(CCC=C(C)C)C)C
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Isomeric SMILES
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CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
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InChI
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InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
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InChI Key
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PYSOMVKWLNTIIA-IMGWONPXSA-N
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