CHEMBL4595118
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol
Molecular Identity
CHEMBL4595118
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol
PubChem CID: 146047135
2D Structure
Properties
C15H18NO3+
Molecular Formula
260.31
Molecular Weight
g/mol
260.1287
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
64.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
268
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
CHEMBL45951182457170-98-61-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol3,4-dihydroxy-1-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-2-methyl-pyridiniumCN128CHEMBL4467408orb2283236BDBM50520561
Data from PubChem (NCBI)
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Drug Network
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