이름: 3-ethoxycarbonyl-6,7-difluoro-2-[N-methyl-N-(b-cyanoethyl)amino]quinoline
SMILES:
CCOC(=O)c1cc2cc(F)c(F)cc2nc1N(C)CCC#NMolecular Processing
Molecular formula
C16H15F2N3O2
Molecular weight
319.31
Exact mass
319.1132
XLogP
3.04
TPSA
66.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
81.12
Supplementary Information
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