Name: 2-Methyl-2-(3-pyridin-3-yl-phenoxy)-propionic acid methyl ester
SMILES:
COC(=O)C(C)(C)Oc1cccc(-c2cccnc2)c1Molecular Processing
Molecular formula
C16H17NO3
Molecular weight
271.32
Exact mass
271.1208
XLogP
3.08
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
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
0.25
Molar refractivity
76.4
Supplementary Information
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