Name: 1-(2,4-difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)cc2c1=OMolecular Processing
Molecular formula
C18H11F4NO3
Molecular weight
365.28
Exact mass
365.0675
XLogP
3.72
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
85.33
Supplementary Information
Details werden geladen…
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