الاسم: 2′-cyano-5-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-4′-methylbiphenyl-3-carboxylic acid
SMILES:
Cc1ccc(-c2cc(OCC3COC(C)(C)O3)cc(C(=O)O)c2)c(C#N)c1Molecular Processing
Molecular formula
C21H21NO5
Molecular weight
367.4
Exact mass
367.142
XLogP
3.76
TPSA
88.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
98.69
Supplementary Information
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