名称: 5-(Fluoromethyl)pyrazine-2-carboxylic acid
SMILES:
O=C(O)c1cnc(CF)cn1Molecular Processing
Molecular formula
C6H5FN2O2
Molecular weight
156.12
Exact mass
156.0335
XLogP
0.64
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
33.8
Supplementary Information
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