Name: 5-(ethoxycarbonyl)-4′-methylbiphenyl-3-carboxylic acid
SMILES:
CCOC(=O)c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1Molecular Processing
Molecular formula
C17H16O4
Molecular weight
284.31
Exact mass
284.1049
XLogP
3.54
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
79.53
Supplementary Information
Details werden geladen…
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