الاسم: 2′-cyano-5-(2,3-dihydroxypropoxy)-4′-methylbiphenyl-3-carboxylic acid
SMILES:
Cc1ccc(-c2cc(OCC(O)CO)cc(C(=O)O)c2)c(C#N)c1Molecular Processing
Molecular formula
C18H17NO5
Molecular weight
327.34
Exact mass
327.1107
XLogP
1.96
TPSA
110.78
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
86.88
Supplementary Information
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