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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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1
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Hydrogen bond donors
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1
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Rotatable bonds
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2
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Topological polar surface area
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23.47
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Molecular weight
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285.21
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XLogP
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3.69
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC(=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C
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Isomeric SMILES
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CC(=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2c([3H])c(c(c1)[3H])O)C)C)C
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InChI
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InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1/i6T,12T
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InChI Key
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VOKSWYLNZZRQPF-BXKNQVALSA-N
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