이름: 5-fluoro-6-methyl-nicotinic acid methyl ester
SMILES:
COC(=O)c1cnc(C)c(F)c1Molecular Processing
Molecular formula
C8H8FNO2
Molecular weight
169.16
Exact mass
169.0539
XLogP
1.32
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
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
40.27
Supplementary Information
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