이름: tert-Butyl-3-(3-methylpyridin-2-yl)benzoate
SMILES:
Cc1cccnc1-c1cccc(C(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C17H19NO2
Molecular weight
269.34
Exact mass
269.1416
XLogP
4.01
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
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
0.294
Molar refractivity
79.58
Supplementary Information
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