이름: methyl 2-chloro-5-fluoro-6-methylnicotinate
SMILES:
COC(=O)c1cc(F)c(C)nc1ClMolecular Processing
Molecular formula
C8H7ClFNO2
Molecular weight
203.6
Exact mass
203.0149
XLogP
1.97
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
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
0.25
Molar refractivity
45.28
Supplementary Information
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