Название: 2-(4-bromo-2-fluorophenylamino)-6-chloro-nicotinic acid methyl ester
SMILES:
COC(=O)c1ccc(Cl)nc1Nc1ccc(Br)cc1FMolecular Processing
Molecular formula
C13H9BrClFN2O2
Molecular weight
359.58
Exact mass
357.952
XLogP
4.17
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
77.97
Supplementary Information
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