이름: 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=OMolecular Processing
Molecular formula
C15H12F3NO3
Molecular weight
311.26
Exact mass
311.0769
XLogP
2.93
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
72.31
Supplementary Information
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