Name: 4-(4-bromo-2-fluorophenylamino)-5-fluoro-6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester
SMILES:
COC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1FMolecular Processing
Molecular formula
C13H9BrF2N2O3
Molecular weight
359.13
Exact mass
357.9765
XLogP
2.95
TPSA
71.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
75.74
Supplementary Information
Details werden geladen…
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