名称: 5-cyclopropylethynyl-pyridine-2-carboxylic acid
SMILES:
O=C(O)c1ccc(C#CC2CC2)cn1Molecular Processing
Molecular formula
C11H9NO2
Molecular weight
187.2
Exact mass
187.0633
XLogP
1.54
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
50.8
Supplementary Information
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