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The IUPAC name of the compound is 1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethanol.
The InChI of the compound is InChI=1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3/i2D,3D,4D,7D,8D.
The InChIKey of the compound is JZSWVCNVNOZMFN-ATTUOBAHSA-N.
The canonical SMILES of the compound is CC(C1=CC=CC=C1)(C2=CC=CC=N2)O.
The isomeric SMILES of the compound is [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)(C2=CC=CC=N2)O)[2H])[2H].
The molecular weight of the compound is 204.28 g/mol.
The XLogP3-AA value of the compound is 1.9.
The compound has 1 hydrogen bond donor count.
The compound has 2 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.
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