Name: 4-(2',3'-Dimethoxyphenyl)-3-phenylbutyric acid
SMILES:
COc1cccc(CC(CC(=O)O)c2ccccc2)c1OCMolecular Processing
Molecular formula
C18H20O4
Molecular weight
300.35
Exact mass
300.1362
XLogP
3.5
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
84.69
Supplementary Information
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