이름: ethyl 2-(2-chloro-6,7,8-trifluoro-quinoline-3-carbonyl)-3-dimethylaminoacrylate
SMILES:
CCOC(=O)C(=CN(C)C)C(=O)c1cc2cc(F)c(F)c(F)c2nc1ClMolecular Processing
Molecular formula
C17H14ClF3N2O3
Molecular weight
386.76
Exact mass
386.0645
XLogP
3.5
TPSA
59.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
89.36
Supplementary Information
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