名称: {3′-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl}methyl acetate
SMILES:
CC(=O)OCc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CO)c1Molecular Processing
Molecular formula
C21H26O6S
Molecular weight
406.5
Exact mass
406.145
XLogP
3.03
TPSA
89.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.83
Supplementary Information
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