Name: 5-methyl-2-(pyridin-2-yl)benzoic acid
SMILES:
Cc1ccc(-c2ccccn2)c(C(=O)O)c1Molecular Processing
Molecular formula
C13H11NO2
Molecular weight
213.24
Exact mass
213.079
XLogP
2.76
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
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
0.077
Molar refractivity
61.37
Supplementary Information
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