이름: ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-(3-methyl-but-3-en-1-inyl)-4-oxo-3-quinolinecarboxylate
SMILES:
C=C(C)C#Cc1c(F)c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c12Molecular Processing
Molecular formula
C20H17F2NO3
Molecular weight
357.36
Exact mass
357.1176
XLogP
3.72
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
94.04
Supplementary Information
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