Nombre: Methyl 3-(4-((2-(2-hydroxyethyl)phenyl)ethynyl)phenyl)propanoate
SMILES:
COC(=O)CCc1ccc(C#Cc2ccccc2CCO)cc1Molecular Processing
Molecular formula
C20H20O3
Molecular weight
308.38
Exact mass
308.1412
XLogP
2.73
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
89.99
Supplementary Information
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