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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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6
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Hydrogen bond donors
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4
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Rotatable bonds
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10
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Topological polar surface area
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124.84
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Molecular weight
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401.18
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XLogP
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0.86
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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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O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N
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Isomeric SMILES
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O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N
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InChI
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InChI=1S/C19H21F2N7O/c20-15-4-3-12(8-16(15)21)14(18-24-6-7-25-18)9-17(29)28-19(22)26-5-1-2-13-10-23-11-27-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,23,27)(H,24,25)(H3,22,26,28,29)
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InChI Key
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DGJMWXIXZSWRLP-UHFFFAOYSA-N
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