Name: 3-methyl-4-pyridin-3-yl-benzofuran-2-carboxylic acid
SMILES:
Cc1c(C(=O)O)oc2cccc(-c3cccnc3)c12Molecular Processing
Molecular formula
C15H11NO3
Molecular weight
253.26
Exact mass
253.0739
XLogP
3.5
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
71.14
Supplementary Information
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