Name: 4′-Aminomethylbiphenyl-2-carboxylic acid t-butyl ester
SMILES:
CC(C)(C)OC(=O)c1ccccc1-c1ccc(CN)cc1Molecular Processing
Molecular formula
C18H21NO2
Molecular weight
283.37
Exact mass
283.1572
XLogP
3.77
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
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
0.278
Molar refractivity
84.94
Supplementary Information
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