Name: 2-[2-(4-methoxyphenyl)ethyl]benzoic acid
SMILES:
COc1ccc(CCc2ccccc2C(=O)O)cc1Molecular Processing
Molecular formula
C16H16O3
Molecular weight
256.3
Exact mass
256.1099
XLogP
3.18
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
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
0.188
Molar refractivity
73.8
Supplementary Information
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