الاسم: 2′-cyano-4′-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)biphenyl-3-carboxylic acid
SMILES:
Cc1ccc(-c2cc(C(=O)O)cc(C(O)C(F)(F)F)c2)c(C#N)c1Molecular Processing
Molecular formula
C17H12F3NO3
Molecular weight
335.28
Exact mass
335.0769
XLogP
3.83
TPSA
81.32
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
79.3
Supplementary Information
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